Basic information
- CAS
3131-60-0- Standard SMILES
Nc1cnn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
OZQDLJNDRVBCST-SHUUEZRQSA-N- Molecular formula
- C8H12N4O5
- Average molar mass
- 244.2 g/mol
- Monoisotopic mass
- 244.0807695
Overview
6-azacytidine is a white crystalline powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 6-Azacytidine
- IUPAC
- 5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one
- English name
- 6-AZACYTIDINE
- Molecular formula
- C8H12N4O5
- Molecular weight
- 244.2
Names & synonyms
6-Azacytidine3131-60-0DTXSID4020117YD42UEH51C5-Amino-2-beta-D-ribofuranosyl-1,2,4-triazin-3(2H)-oneDTXCID40117as-Triazin-3(2H)-one, 5-amino-2-beta-D-ribofuranosyl-NSC-5247671,2,4-Triazin-3(2H)-one, 5-amino-2-beta-D-ribofuranosyl-RefChem:1042315-AMINO-1,2,4-TRIAZIN-3-ONE 2-BETA-D-RIBOFURANOSIDE5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one
Show more names
5-Amino-2-β-D-ribofuranosyl-1,2,4-triazin-3(2H)-one4-triazin-3(2h)-one,5-amino-2-beta-d-ribofuranosyl-21,2,4-Triazin-3(2H)-one, 5-amino-2-β-D-ribofuranosyl-2-(β-D-Ribofuranosyl)-5-amino-1,2,4-triazine-3(2H)-one
6-Azacytidine (VAN)5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazin-3-oneCCRIS 67426-Azacytosine ribosideUNII-YD42UEH51CNSC 524767as-Triazin-3(2H)-one, 5-amino-2beta-D-ribofuranosyl-1,2,4-Triazin-3(2H)-one, 5-amino-2beta-D-ribofuranosyl
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 384
Experimental & physicochemical properties
Physical Description6-azacytidine is a white crystalline powder. (NTP, 1992)
Physicochemical properties
- Melting point
- 215 °C · 215 °C
- Boiling point
- 387.12 °C · 387.12°C (rough estimate)
- Density
- 1.4287 · 1.4287 (rough estimate)
- refractive index
- 1.659 · 1.6590 (estimate)
- pka
- 13.44 · 13.44±0.70(Predicted)
- FDA UNII
- 42 UEH51C · YD42UEH51C
- EPA Substance Registry System
- 6 · 6-Azacytidine (3131-60-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
- Toxicity
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to related compounds include nausea, vomiting, diarrhea and mylagia.
Reactive GroupAlcohols and Polyols
Reactivity Profile
6-AZACYTIDINE is an organic compound with both amine and alcohol substituents. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsThis chemical may be light and air sensitive.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety & protection
Fire Fighting
Chemistry & industry
Applications
General DescriptionWhite crystalline powder.
Suppliers4 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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