CAS No.84-52-6,CYTIDINE 3'-MONOPHOSPHATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	84-52-6
Name:	CYTIDINE 3'-MONOPHOSPHATE
Article Data:	34

Formula:	C₉H₁₄N₃O₈P
Molecular Weight:	323.199
Synonyms:	Cytidine 3'-monophosphate;
EINECS:	201-537-5
Density:	2.15 g/cm³
Melting Point:	230 °C
Boiling Point:	693.7 °C at 760 mmHg
Flash Point:	373.4 °C
Appearance:	off-white powder

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Specification

The CAS register number of Cytidine 3'-monophosphate is 84-52-6. It also can be called as 3'-Cytidylic acid and the systematic name about this chemical is [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate. The molecular formula about this chemical is C₉H₁₄N₃O₈P and the molecular weight is 323.2. It belongs to the following product categories which include Biochemistry; Nucleosides, Nucleotides & Related Reagents; Nucleotides and their analogs and so on.

Physical properties about Cytidine 3'-monophosphate are: (1)ACD/LogP: -2.74; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -6.07; (4)ACD/LogD (pH 7.4): -7.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 118.17Å²; (13)Index of Refraction: 1.774; (14)Molar Refractivity: 62.59 cm³; (15)Molar Volume: 149.9 cm³; (16)Polarizability: 24.81x10^-24cm³; (17)Surface Tension: 121.5 dyne/cm; (18)Flash Point: 373.4 °C; (19)Enthalpy of Vaporization: 116.2 kJ/mol; (20)Boiling Point: 693.7 °C at 760 mmHg; (21)Vapour Pressure: 2.9E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(/N)\C=C/N1[C@@H]2O[C@@H]([C@@H](OP(=O)(O)O)[C@H]2O)CO
(2)InChI: InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
(3)InChIKey: UOOOPKANIPLQPU-XVFCMESIBY
(4)Std. InChI: InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
(5)Std. InChIKey: UOOOPKANIPLQPU-XVFCMESISA-N