CAS No.30811-80-4,POLYCYTIDYLIC ACID POTASSIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30811-80-4
Name:	POLYCYTIDYLIC ACID POTASSIUM SALT
Article Data:	71

Formula:	C₉H₁₄N₃O₈P
Molecular Weight:	323.199
Synonyms:	5'-Cytidylicacid, polymers (8CI);NSC 120953;Poly(5'-cytidylic acid);Poly(C);Poly(CMP);Poly(cytidylic acid);
Density:	2.15 g/cm³
Melting Point:	69℃
Boiling Point:	678.086 °C at 760 mmHg
Flash Point:	363.893 °C
PSA:	187.17000
LogP:	-1.86480

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Specification

The 5'-Cytidylic acid, homopolymer, with the CAS registry number 30811-80-4, is also known as Poly(5'-cytidylic acid). This chemical's molecular formula is C₉H₁₄N₃O₈P and molecular weight is 323.051851. Its IUPAC name is called [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.

Physical properties of 5'-Cytidylic acid, homopolymer: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 11; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 6; (9)Index of Refraction: 1.775; (10)Molar Refractivity: 62.593 cm³; (11)Molar Volume: 149.953 cm³; (12)Surface Tension: 121.559 dyne/cm; (13)Density: 2.155 g/cm³; (14)Flash Point: 363.893 °C; (15)Enthalpy of Vaporization: 113.869 kJ/mol; (16)Boiling Point: 678.086 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
(2)InChI: InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(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: IERHLVCPSMICTF-XVFCMESIBY

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	parenteral	35mg/kg (35mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN PSYCHOPHYSIOLOGICAL TESTS GASTROINTESTINAL: OTHER CHANGES	Farmakologiya i Toksikologiya Vol. 44, Pg. 353, 1981.
rat	LD50	intraperitoneal	116mg/kg (116mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN PSYCHOPHYSIOLOGICAL TESTS GASTROINTESTINAL: OTHER CHANGES	Farmakologiya i Toksikologiya Vol. 44, Pg. 353, 1981.