(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol

C16H25ClN4O3Si — CID 10738837

IUPAC(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H25ClN4O3Si/c1-16(2,3)25(4,5)24-10-6-9(12(22)13(10)23)21-8-20-11-14(17)18-7-19-15(11)21/h7-10,12-13,22-23H,6H2,1-5H3/t9-,10+,12+,13-/m1/s1
InChIKeyGVXTXADJENWUPN-RSLMWUCJSA-N
MW384.94 g/mol
LogP2.54
Rot. Bonds3

About (1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol

(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol (PubChem CID 10738837) has the molecular formula C16H25ClN4O3Si and a molecular weight of 384.94 g/mol. Its IUPAC name is (1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol
PubChem CID10738837
Molecular FormulaC16H25ClN4O3Si
Molecular Weight384.94 g/mol
Exact Mass384.14
IUPAC Name(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H25ClN4O3Si/c1-16(2,3)25(4,5)24-10-6-9(12(22)13(10)23)21-8-20-11-14(17)18-7-19-15(11)21/h7-10,12-13,22-23H,6H2,1-5H3/t9-,10+,12+,13-/m1/s1
InChIKeyGVXTXADJENWUPN-RSLMWUCJSA-N
XLogP2.54
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.94
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2R,3S,4R)-4-(6-chloropurin-9-yl)-2,3-dihydroxycyclopentyl]carbamate
CID 10529382
[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol
CID 174009285
(2S,3R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(6-chloropurin-9-yl)-2,3,3a,4,7,7a-hexahydro-1H-indene-1,2-diol
CID 174151257
[(1R,3R,3aS)-2-[tert-butyl(dimethyl)silyl]oxy-1-(6-chloropurin-9-yl)-3-methoxy-2,3,3a,4,5,6-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 174151408
[(1S,2S,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl] 2,2-dimethylpropanoate
CID 11142243
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol
CID 10706154
[(3aR,4S,6R,6aS)-6-(6-chloropurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] acetate
CID 11696044
(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol
CID 101423148
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
CID 10999010
9-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-chloropurine
CID 56676591
9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 163886301
[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol?
The IUPAC name of (1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol (CID 10738837) is (1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol?
The canonical SMILES for (1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol?
The InChIKey is GVXTXADJENWUPN-RSLMWUCJSA-N. The full InChI is InChI=1S/C16H25ClN4O3Si/c1-16(2,3)25(4,5)24-10-6-9(12(22)13(10)23)21-8-20-11-14(17)18-7-19-15(11)21/h7-10,12-13,22-23H,6H2,1-5H3/t9-,10+,12+,13-/m1/s1.
What are the key properties of (1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol?
(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol has a molecular weight of 384.94 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-chloropurin-9-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 10738837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).