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Home> Encyclopedia > Hot Product Listed L   > L-Guanosine
76357-18-1 structure

L-Guanosine

Iupac Name:methyl 1-tritylaziridine-2-carboxylate
CAS No.:76357-18-1
Molecular Weight:343.426
Molecular Formula:C11H9NO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C23H21NO2/c1-26-22(25)21-17-24(21)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3
InChkey
QGSITPKXYQEFIR-UHFFFAOYSA-N
Canonical Smiles
COC(=O)C1CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Properties
Density
1.141
Melting Point
132 °C
Boiling Point
527.786 °C at 760 mmHg
Refractive Index
1.622
Flash Point
159.4°C
Safety and Handling
Specification

The L-Guanosine, with the CAS registry number 26578-09-6, is also known as 2-Amino-1,9-dihydro-9-b-D-ribofuranosyl-6H-purin-6-one and 2-Amino-inosine. This chemical's molecular formula is C10H13N5O5 and molecular weight is 283.24. What's more, its systematic name is called Guanosine.

Physical properties about L-Guanosine are:(1) # of Rule of 5 Violations: 2; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4) ACD/KOC (pH 5.5): 1.284; (5) ACD/KOC (pH 7.4): 1.278; (6) #H bond acceptors: 10; (7) #H bond donors: 6; (8) #Freely Rotating Bonds: 5; (9) Polar Surface Area: 155.22 Å2; (10) Index of Refraction: 1.955; (11) Molar Refractivity: 60.811 cm3; (12) Molar Volume: 125.448 cm3; (13) Surface Tension: 123.824 dyne/cm; (14) Density: 2.258 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
(2) InChI: InChI=1/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
(3) InChIKey: NYHBQMYGNKIUIF-UUOKFMHZBU

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:343.426g/mol
  • Molecular Formula:C11H9NO2
  • Compound Is Canonicalized:True
  • Exact Mass:343.157
  • Monoisotopic Mass:343.157
  • Complexity:427
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:29.3A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6MAAAAAAAAAAAAAAAFgAAAAAAAAAwYMAAAAAAAAABUAAAHgAAAAAADKjBmAYyCIMABACI AiDSCACCAAAgAAAIiAGIBIgKICqAkTGFIAhigACYiAcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:(215) 785 3197
  • Fax:(215) 785 2656
  • Tel:0086-551-66399836
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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