3D Mol Similar

XANTHOPTERIN MONOHYDRATE

Iupac Name：2-amino-1,5-dihydropteridine-4,6-dione;hydrate

CAS No.: 5979-01-1

Molecular Weight：197.154

Modify Date.: 2022-03-16 06:12

Introduction: Biochemical research. View more+

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1. Names and Identifiers

1.1 Name: XANTHOPTERIN MONOHYDRATE
1.2 Synonyms: 2-Amino-4,6-pteridindiol 2-AMINO-4,6-PTERIDINEDIOL 2-aminopteridine-4,6-diol EINECS 204-325-0 MFCD00151242 XANTHOPTERIN HYDRATE XANTHOPTERIN(RG)

1.3 CAS No.: 5979-01-1

1.4 CID: 2723796

1.5 EINECS(EC#): 611-886-9

1.6 Molecular Formula: C6H7N5O3 (isomer)

1.7 Inchi: InChI=1S/C6H5N5O2.H2O/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4;/h1H,(H,9,12)(H3,7,8,10,11,13);1H2

1.8 InChkey: GXYCFNCAIXIUMR-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=NC2=C(C(=O)N=C(N2)N)NC1=O.O

1.10 Isomers Smiles: C1=NC2=C(C(=O)N=C(N2)N)NC1=O.O

2. Properties

3.1 Melting point: 300℃

3.1 Boiling point: 458.7°C at 760 mmHg

3.1 Flash Point: 231.2°C

3.1 Precise Quality: 197.05500

3.1 PSA: 127.27000

3.1 logP: -0.06990

3.1 Appearance: Light yellow to Brown powder to crystal

3.2 Chemical Properties: yellow to orange crystalline powder

3.3 pKa: 6.59(at 20℃)

3. Use and Manufacturing

4.1 Definition: Pigmentfound in the wings of butterflies; can be convertedby yeast into folic acid.

4.2 Usage: Biochemical research.

4. Safety and Handling

5.1 Risk Statements: S22-S24/25

5.1 Safety Statements: S24/25

5.1 WGK Germany: 3

5.1 Sensitive: Air Sensitive

5. 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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7. Realated Product Infomation

119-44-8 XANTHOPTERIN

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92767-21-0 2-amino-3,5,7-trimethyl-3,5-dihydro-pteridine-4,6-dione|3.5.7-Trimethyl-xanthopterin

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1554095-88-3 GABA monohydrate|gamma-aminobutyric acid monohydrate

52296-06-7 2-dimethylamino-3,5,7,8-tetrahydro-pteridine-4,6-dione|2,2-Dimethyl-7,8-dihydro-xanthopterin 20

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