3D Mol Similar

8-Bromoguanosine

Iupac Name：2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

CAS No.: 4016-63-1

Molecular Weight：362.13678

Modify Date.: 2022-11-29 12:31

Introduction:

White Solid

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1. Names and Identifiers

1.1 Name: 8-Bromoguanosine
1.2 Synonyms: 2-AMINO-8-BROMO-6-HYDROXYPURINE RIBOSIDE 2-aMino-8-broMo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyMethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one 2-Amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydropurin-6-one 2-Amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6(9H)-one 2-Amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one 2-Amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-1,9-dihydro-6H-purin-6-one 2-Amino-8-bromo-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6,9-dihydro-1H-purin-6-one 2-Amino-8-bromoinosine. 8-Br-G 8-Bromo-9-Β-D-ribofuranosylguanine 8-Bromo-D-guanosine 8-BROMOGUANOSINE Chembridge 5141604 EINECS 223-677-6 Guanosine, 8-bromo- MFCD00037985 NAB-1 NSC 174257 NSC 79211 T56 BN DN FVM INJ CE HZ B- BT5OTJ CQ DQ E1Q &&Β-D-Ribo Form

1.3 CAS No.: 4016-63-1

1.4 CID: 135465599

1.5 EINECS(EC#): 223-677-6

1.6 Molecular Formula: C10H12BrN5O5 (isomer)

1.7 Inchi: InChI=1S/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1

1.8 InChkey: ASUCSHXLTWZYBA-UMMCILCDSA-N

1.9 Canonical Smiles: C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)N=C2Br)O)O)O

1.10 Isomers Smiles: C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)N=C2Br)O)O)O

2. Properties

2.1 Density: 2.62

2.1 Melting point: 222°C

2.1 Boiling point: 774°Cat760mmHg

2.1 Refractive index: 1.986

2.1 Flash Point: 421.9°C

2.1 Precise Quality: 361.00200

2.1 PSA: 159.77000

2.1 logP: -0.93070

2.1 Appearance: Off-white Powder

2.2 Storage: Store at -20°C.

2.3 Chemical Properties: White Solid 8-BromoguanosineSupplier

2.4 Color/Form: White to Yellow Solid

2.5 pKa: 13.00±0.70(Predicted)

2.6 StorageTemp: −20°C

3. Safety and Handling

3.1 Hazard Codes: Xn

3.1 Risk Statements: 20/21/22-36/37/38

3.1 Safety Statements: S22;S24/25

3.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Synthesis Route

4016-63-1Total: 2 Synthesis Route

118-00-3 274 Suppliers

4016-63-1 63 Suppliers

Literatures:
Baranowski, Daniel; Golankiewicz, Bozenna; Folkman, Wojciech; Popenda, Mariusz Nucleosides, Nucleotides and Nucleic Acids, 2012 , vol. 31, # 10 p. 707 - 719
Yield: ~91%

15717-45-0 12 Suppliers

4016-63-1 63 Suppliers

Literatures:
Meier, Lidiane; Monteiro, Gustavo C.; Baldissera, Rodrigo A.M.; Sa, Marcus Mandolesi Journal of the Brazilian Chemical Society, 2010 , vol. 21, # 5 p. 859 - 866
Yield: ~92%

6. Precursor and Product

precursor:

15717-45-0

118-00-3

product :

15717-45-0

118-00-3

3868-36-8

80106-09-8

3868-37-9

26001-38-7

2104-66-7

126138-81-6

168701-80-2

557-40-4

121288-39-9

3868-31-3

7. Computational chemical data

Molecular Weight: 362.13678g/mol
Molecular Formula: C₁₀H₁₂BrN₅O₅
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 361.00218
Monoisotopic Mass: 361.00218
Complexity: 479
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 5
Hydrogen Bond Acceptor Count: 7
Topological Polar Surface Area: 155
Heavy Atom Count: 21
Defined Atom Stereocenter Count: 4
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBzuAAAEAAAAAAAAAAAAAAAAWJAAAAgAAAAAAAAAEABgAAAHgBQCAAAGBzhlgYBsBfMFgCoAQdwdACAgC0HEKABUAGoVECDWApAyCAeQIgPAQLTAGDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8. Recommended Suppliers

Global61SuppliersView all >>

Dayang Chem (Hangzhou) Co., Ltd. Diamond member

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8-Bromoguanosine

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2023/01/17

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Hangzhou Utanpharma biology co,.Ltd Diamond member

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Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China.
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Nanjing Chemlin Chemical Co., Ltd. Diamond member

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8-Bromoguanosine

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2022/05/13

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Hangzhou ZeErRui Chemical Co., Ltd. Diamond member

1YR

Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
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8-Bromoguanosine manufature

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2023/01/15

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Jinan Haohua Industry Co., Ltd. Audited Suppliers

Products:Chlorodimethylsilane;1,1,3,3-tetramethyldisiloxane
Tel:0086-531-58773055

8-BROMOGUANOSINE

Purity:99%Packing: 200kg/bag FOB
Price: 0 RMB/metric ton
Time: 2018/11/21

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9. Realated Product Infomation

332359-99-6 8-Bromoguanosine hydrate (1:1)

102213-02-5 8-BROMOGUANOSINE 5'-MONOPHOSPHATE SODIUM SALT

15717-45-0 2',3',5-TRI-O-ACETYL-8-BROMOGUANOSINE

51116-01-9 8-BROMOGUANOSINE 3',5'-(CYCLIC) MONOPHOSPHATESODIUM SALT N-HYDRATE

150418-07-8 8-BROMOGUANOSINE-3',5'-CYCLIC MONOPHOSPHOROTHIOATE, RP-ISOMER SODIUM SALT

172806-20-1 BETA-PHENYL-1, N2-ETHENO-8-BROMOGUANOSINE-3',5'-CYCLIC MONOPHOSPHOROTHIOATE, RP-ISOMER SODIUM SALT

172806-21-2 BETA-PHENYL-1,N2-ETHENO-8-BROMOGUANOSINE-3',5'-CYCLIC MONOPHOSPHOROTHIOATE, SP-ISOMER SODIUM SALT

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