[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Sulfamate

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.

Purine nucleosides

Organic compounds

Nucleosides, nucleotides, and analogues

Purine nucleosides

Calculated Property

kind Value Source
logP -1.3 ALOGPS
logS -1.8 ALOGPS
Water Solubility 5.93e+00 g/l ALOGPS
logP -2.6 ChemAxon
IUPAC Name [(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate ChemAxon
Traditional IUPAC Name [(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate ChemAxon
Molecular Weight 346.32 ChemAxon
Monoisotopic Weight 346.0695529 ChemAxon
SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](COS(N)(=O)=O)[C@H](O)[C@H]1O ChemAxon
Molecular Formula C10H14N6O6S ChemAxon
InChI InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7+,10+/m0/s1 ChemAxon
InChIKey InChIKey=GNZLUJQJDPRUTD-FCIPNVEPSA-N ChemAxon
Polar Surface Area (PSA) 188.7 ChemAxon
Refractivity 74.72 ChemAxon
Polarizability 31.11 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 10 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 11.3 ChemAxon
pKa (strongest basic) 4.99 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon