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Name |
5-Hydroxycytidine |
EINECS | N/A |
CAS No. | 39638-73-8 | Density | 2.06g/cm3 |
PSA | 151.06000 | LogP | -2.27620 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H13N3O6 | Boiling Point | 584°Cat760mmHg |
Molecular Weight | 259.219 | Flash Point | 307°C |
Transport Information | N/A | Appearance | N/A |
Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-HYDROXYCYTIDINE; |
Article Data | 4 |
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-
1. | sce-hmn-lym 100 nmol/L | MUREAV Mutation Research. 403 (1998),223. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.