5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol

C32H43N5O5Si — CID 142675437

IUPAC5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CC(n2cnc3c(OCc4ccccc4)nc(N)nc32)C(O)(CO)C1COCc1ccccc1
InChIInChI=1S/C32H43N5O5Si/c1-31(2,3)43(4,5)42-25-16-26(32(39,20-38)24(25)19-40-17-22-12-8-6-9-13-22)37-21-34-27-28(37)35-30(33)36-29(27)41-18-23-14-10-7-11-15-23/h6-15,21,24-26,38-39H,16-20H2,1-5H3,(H2,33,35,36)
InChIKeyUAIUORLNWYPWIK-UHFFFAOYSA-N
MW605.81 g/mol
LogP4.88
Rot. Bonds11

About 5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol

5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol (PubChem CID 142675437) has the molecular formula C32H43N5O5Si and a molecular weight of 605.81 g/mol. Its IUPAC name is 5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol
PubChem CID142675437
Molecular FormulaC32H43N5O5Si
Molecular Weight605.81 g/mol
Exact Mass605.30
IUPAC Name5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1CC(n2cnc3c(OCc4ccccc4)nc(N)nc32)C(O)(CO)C1COCc1ccccc1
InChIInChI=1S/C32H43N5O5Si/c1-31(2,3)43(4,5)42-25-16-26(32(39,20-38)24(25)19-40-17-22-12-8-6-9-13-22)37-21-34-27-28(37)35-30(33)36-29(27)41-18-23-14-10-7-11-15-23/h6-15,21,24-26,38-39H,16-20H2,1-5H3,(H2,33,35,36)
InChIKeyUAIUORLNWYPWIK-UHFFFAOYSA-N
XLogP4.88
TPSA137.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.81
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-2-(2-amino-6-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 71313823
9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine
CID 11801419
9-[(2S,4S,5R)-4-[(2-methylpropan-2-yl)oxy]-5-(phenylmethoxymethyl)-2-bicyclo[3.1.0]hexanyl]-6-phenylmethoxypurin-2-amine
CID 159821050
9-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-[dihydroxy(phenyl)-λ4-sulfanyl]oxypurin-2-amine
CID 20656106
(2-amino-6-phenylmethoxypurin-9-yl)methanol
CID 91583081
9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine
CID 90323864
[(2R,3S,5R)-5-[2-(benzotriazol-1-yloxy)-6-phenylmethoxypurin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 135015558
tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
CID 11382951
[(2S,3R,4R,5R)-5-(2-amino-6-phenylmethoxypurin-9-yl)-3-azido-4-(1,1-difluoro-2-methoxyethoxy)oxolan-2-yl]methanol
CID 154620995
9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-[2-(4-nitrophenyl)ethoxy]purin-2-amine
CID 11114928
[(2R,3S,5R)-5-(2-amino-6-phenylmethoxypurin-9-yl)-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
CID 10145997
methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate
CID 10425718

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol?
The IUPAC name of 5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol (CID 142675437) is 5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol.
What is the SMILES notation for 5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol?
The canonical SMILES for 5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol is CC(C)(C)[Si](C)(C)OC1CC(n2cnc3c(OCc4ccccc4)nc(N)nc32)C(O)(CO)C1COCc1ccccc1.
What is the InChIKey of 5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol?
The InChIKey is UAIUORLNWYPWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5O5Si/c1-31(2,3)43(4,5)42-25-16-26(32(39,20-38)24(25)19-40-17-22-12-8-6-9-13-22)37-21-34-27-28(37)35-30(33)36-29(27)41-18-23-14-10-7-11-15-23/h6-15,21,24-26,38-39H,16-20H2,1-5H3,(H2,33,35,36).
What are the key properties of 5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol?
5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol has a molecular weight of 605.81 g/mol, XLogP of 4.88, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 142675437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).