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39638-73-8

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Basic Information
CAS No.: 39638-73-8
Name: 5-hydroxycytidine
Article Data: 4
Molecular Structure:
Molecular Structure of 39638-73-8 (5-hydroxycytidine)
Formula: C9H13N3O6
Molecular Weight: 259.219
Synonyms: 5-HYDROXYCYTIDINE;
Density: 2.06g/cm3
Boiling Point: 584°Cat760mmHg
Flash Point: 307°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 151.06000
LogP: -2.27620
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Chemistry

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-

Toxicity Data With Reference

1.    

sce-hmn-lym 100 nmol/L

     MUREAV    Mutation Research. 403 (1998),223.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.