Cas no 65926-31-0 (Vidarabine 5'-valerate)
Vidarabine 5'-valerate structure
Product Name:Vidarabine 5'-valerate
CAS No:65926-31-0
MF:C15H21N5O5
MW:351.357743024826
CID:962819
PubChem ID:163097
Update Time:2024-03-01
Vidarabine 5'-valerate Chemical and Physical Properties
Names and Identifiers
-
- vidarabine 5'-valerate
- Ara-A-5'-valerate
- Arabinofuranosyladenine 5'-valerate
- BDBM50010137
- 9-(5-O-Pentanoylpentofuranosyl)-9H-purin-6-amine
- 9H-Purin-6-amine, 9-(5-O-(1-oxopentyl)-beta-D-arabinofuranosyl)-
- Pentanoic acid 5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester
- ((2R,3S,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl pentanoate
- [(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydro
- Vidarabine 5'-valerate
-
- Inchi： 1S/C15H21N5O5/c1-2-3-4-9(21)24-5-8-11(22)12(23)15(25-8)20-7-19-10-13(16)17-6-18-14(10)20/h6-8,11-12,15,22-23H,2-5H2,1H3,(H2,16,17,18)/t8-,11-,12+,15-/m1/s1
- InChI Key： UTXZRKUAJPWZOZ-UPSWMWPXSA-N
- SMILES： O1[C@H](COC(CCCC)=O)[C@H]([C@@H]([C@@H]1N1C=NC2C(N)=NC=NC1=2)O)O
Computed Properties
- Exact Mass: 351.154
- Monoisotopic Mass: 351.154
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 470
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 146
Experimental Properties
- Density: 1.2018 (rough estimate)
- Boiling Point: 485.17°C (rough estimate)
- Flash Point: 338°C
- Refractive Index: 1.7000 (estimate)
Vidarabine 5'-valerate Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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