CAS No.175865-60-8,Valganciclovir Suppliers

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Basic Information

Molecular Structure:
CAS No.:	175865-60-8
Name:	Valganciclovir

Formula:	C₁₄H₂₂N₆O₅
Molecular Weight:	354.36
Synonyms:	Valganciclovir [INN:BAN];UNII-GCU97FKN3R;
EINECS:	1312995-182-4
Density:	1.59 g/cm³
Boiling Point:	629.1 °C at 760 mmHg
Flash Point:	334.3 °C
PSA:	171.37000
LogP:	-0.15520

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Specification

The Valganciclovir, with the CAS registry number 175865-60-8, is also known as 5-Amino-3-[1-(hydroxymethyl)-2-(L-valyloxy)ethoxymethyl]-6,7- dihydro-3H-imidazo[4,5-d]pyrimidin-7-one. This chemical's molecular formula is C₁₄H₂₂N₆O₅ and molecular weight is 354.36168. Its IUPAC name is called [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl](2S)-2-amino-3-methylbutanoate.

Physical properties of Valganciclovir: (1)ACD/LogP: -1.28; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.46; (4)ACD/LogD (pH 7.4): -1.78; (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): 1.52; (9)#H bond acceptors: 11; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.677; (13)Molar Refractivity: 83.87 cm³; (14)Molar Volume: 222.5 cm³; (15)Surface Tension: 65.6 dyne/cm; (16)Density: 1.59 g/cm³; (17)Flash Point: 334.3 °C; (18)Enthalpy of Vaporization: 97.83 kJ/mol; (19)Boiling Point: 629.1 °C at 760 mmHg; (20)Vapour Pressure: 1.08E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N
(2)Isomeric SMILES: CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N
(3)InChI: InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
(4)InChIKey: WPVFJKSGQUFQAP-GKAPJAKFSA-N