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3616-08-8

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Basic Information
CAS No.: 3616-08-8
Name: CYTIDINE 3':5'-CYCLIC MONOPHOSPHATE
Article Data: 10
Molecular Structure:
Molecular Structure of 3616-08-8 (CYTIDINE 3':5'-CYCLIC MONOPHOSPHATE)
Formula: C9H12N3O7P
Molecular Weight: 305.184
Synonyms: Cytidine,cyclic 3',5'-phosphate (6CI);4H-Furo[3,2-d]-1,3,2-dioxaphosphorin, cytidinederiv.;3',5'-cCMP;Cyclic 3',5'-CMP;Cyclic 3',5'-cytidine monophosphate;Cyclic CMP;Cyclic cytidine monophosphate;Cytidine 3',5'-cyclic monophosphate;Cytidine 3',5'-cyclic monophosphoric acid;Cytidine 3',5'-monophosphate;
Density: 2.28 g/cm3
Boiling Point: 580.6 °C at 760 mmHg
Flash Point: 305 °C
Appearance: White crystalline powder
PSA: 155.94000
LogP: -0.81920
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Specification

The Cytidine, cyclic3',5'-(hydrogen phosphate) is an organic compound with the formula C9H12N3O7P. The IUPAC name of this chemical is 1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-aminopyrimidin-2-one. With the CAS registry number 3616-08-8, it is also named as cytidine 3',5'-(hydrogen phosphate).

Physical properties about Cytidine, cyclic3',5'-(hydrogen phosphate) are: (1)#H bond acceptors: 10; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 108.94 Å2; (5)Index of Refraction: 1.852; (6)Molar Refractivity: 59.72 cm3; (7)Molar Volume: 133.3 cm3; (8)Polarizability: 23.67×10-24cm3; (9)Surface Tension: 130.7 dyne/cm; (10)Density: 2.28 g/cm3; (11)Flash Point: 305 °C; (12)Enthalpy of Vaporization: 99.72 kJ/mol; (13)Boiling Point: 580.6 °C at 760 mmHg; (14)Vapour Pressure: 6.7E-16 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]3COP(=O)(O[C@H]3[C@H]2O)O
(2)InChI: InChI=1/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1
(3)InChIKey: WCPTXJJVVDAEMW-XVFCMESIBP
(4)Std. InChI: InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1
(5)Std. InChIKey: WCPTXJJVVDAEMW-XVFCMESISA-N