-
Name
5-hydroxycytidine
- EINECS
- CAS No. 39638-73-8
- Article Data4
- CAS DataBase
- Density 2.06g/cm3
- Solubility
- Melting Point
- Formula C9H13N3O6
- Boiling Point 584°Cat760mmHg
- Molecular Weight 259.219
- Flash Point 307°C
- Transport Information
- Appearance
- Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-HYDROXYCYTIDINE;
- PSA 151.06000
- LogP -2.27620
5-Hydroxycytidine Chemical Properties
Molecule structure of 5-Hydroxycytidine (CAS NO.39638-73-8) :
IUPAC Name of 5-Hydroxycytidine (CAS NO.39638-73-8) : 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrimidin-2-one
Molecular Weight: 259.21602 g/mol
Molecular Formula: C9H13N3O6
Density: 2.06 g/cm3
Boiling Point: 584 °C at 760 mmHg
Flash Point: 307 °C
Molar Volume: 125.7 cm3
Polarizability: 21.2*10-24 cm3
Surface Tension: 103.2 dyne/cm
Enthalpy of Vaporization: 100.2 kJ/mol
Vapour Pressure: 4.51E-16 mmHg at 25 °C
XLogP3: -2.5
H-Bond Donor: 5
H-Bond Acceptor: 7
Rotatable Bond Count: 2
Tautomer Count: 6
Exact Mass: 259.080435
MonoIsotopic Mass: 259.080435
Topological Polar Surface Area: 149
Heavy Atom Count: 18
Complexity: 423
Defined Atom StereoCenter Count: 4
Canonical SMILES: C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)O
Isomeric SMILES: C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)O
InChI: InChI=1S/C9H13N3O6/c10-7-3(14)1-12(9(17)11-7)8-6(16)5(15)4(2-13)18-8/h1,4-6,8,13-16H,2H2,(H2,10,11,17)/t4-,5-,6-,8-/m1/s1
InChIKey: MPPUDRFYDKDPBN-UAKXSSHOSA-N
Synonyms of 5-Hydroxycytidine (CAS NO.39638-73-8) : Cytidine, 5-hydroxy-
5-Hydroxycytidine Toxicity Data With Reference
| 1. | sce-hmn-lym 100 nmol/L | MUREAV Mutation Research. 403 (1998),223. |
5-Hydroxycytidine Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
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