CAS No.63-38-7,Sulbactum Sodium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63-38-7
Name:	Sulbactum Sodium
Article Data:	25

Formula:	C₉H₁₅N₃O₁₁P₂
Molecular Weight:	403.179
Synonyms:	Cytidine5'-(trihydrogen pyrophosphate) (8CI);Cytidine pyrophosphate (6CI);5'-CDP;Cytidine 5'-diphosphate;Cytidine 5'-pyrophosphate;Cytidine coenzyme;Cytidine diphosphate;Cytidine, mono(trihydrogen diphosphate) (ester);
EINECS:	200-557-1
Density:	2.35 g/cm³
Melting Point:	183 °C (decomp)
Boiling Point:	767.4 °C at 760 mmHg
Flash Point:	417.9 °C
PSA:	243.51000
LogP:	-1.74780

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Specification

The CAS register number of Cytidine diphosphate is 63-38-7. It also can be called as Cytidine, 5'-(trihydrogen pyrophosphate) and the IUPAC name about this chemical is [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate. The molecular formula about this chemical is C₉H₁₅N₃O₁₁P₂ and the molecular weight is 403.1764. This chemical is a cytosine nucleotide containing two phosphate groups esterified to the sugar moiety.

Physical properties about Cytidine diphosphate are: (1)ACD/LogP: -4.25; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -8.74; (4)ACD/LogD (pH 7.4): -9.25; (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: 14; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 163.51Å²; (13)Index of Refraction: 1.789; (14)Molar Refractivity: 72.54 cm³; (15)Molar Volume: 171.3 cm³; (16)Polarizability: 28.75x10^-24cm³; (17)Surface Tension: 150.8 dyne/cm; (18)Enthalpy of Vaporization: 127.42 kJ/mol; (19)Boiling Point: 767.4 °C at 760 mmHg; (20)Vapour Pressure: 3.43E-27 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N/1C(=O)/N=C(/N)\C=C\1)[C@H](O)[C@@H]2O
(2)InChI: InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
(3)InChIKey: ZWIADYZPOWUWEW-XVFCMESIBF
(4)Std. InChI: InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
(5)Std. InChIKey: ZWIADYZPOWUWEW-XVFCMESISA-N