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Valtorcitabine

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Name

Valtorcitabine

EINECS N/A
CAS No. 380886-95-3 Density 1.53 g/cm3
PSA 143.68000 LogP 1.64710
Solubility N/A Melting Point N/A
Formula C14H22N4O5 Boiling Point N/A
Molecular Weight 326.35 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 380886-95-3 (Valtorcitabine) Hazard Symbols N/A
Synonyms

L-Valine, 3-ester with 4-amino-1-(2-deoxy-beta-L-erythro-pentofuranosyl)-2(1H)-pyrimidinone;

 

Valtorcitabine Specification

The cas register number of Valtorcitabine is 380886-95-3. It also can be called as L-Valine, 3'-ester with 4-amino-1-(2-deoxy-beta-L-erythro-pentofuranosyl)-2(1H)-pyrimidinone and the IUPAC Name about this chemical is [(2S,3R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate.

Physical properties about Valtorcitabine are: (1)XLogP3: -0.9; (2)H-Bond Donor: 3; (3)H-Bond Acceptor: 7; (4)Rotatable Bond Count: 6; (5)Tautomer Count: 3; (6)Exact Mass: 326.15902; (7)MonoIsotopic Mass: 326.15902; (8)Topological Polar Surface Area: 141; (9)Heavy Atom Count: 23; (10)Complexity: 533; (11)Defined Atom StereoCenter Count: 3; (12)Undefined Atom StereoCenter Count: 1; (13)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C(C(=O)OC1CC(OC1CO)N2C=CC(=NC2=O)N)N
(2)Isomeric SMILES: CC(C)[C@@H](C(=O)O[C@@H]1CC(O[C@H]1CO)N2C=CC(=NC2=O)N)N
(3)InChI: InChI=1S/C14H22N4O5/c1-7(2)12(16)13(20)23-8-5-11(22-9(8)6-19)18-4-3-10(15)17-14(18)21/h3-4,7-9,11-12,19H,5-6,16H2,1-2H3,(H2,15,17,21)/t8-,9+,11?,12+/m1/s1
(4)InChIKey: VFCYZPOEGWLYRM-IGYALAGJSA-N 

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