[(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol

C32H51N5O6Si2 — CID 67164152

IUPAC[(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol
SMILESCO[C@H]1[C@H](O[Si](O[Si](O)(C(C)C)C(C)C)(C(C)C)C(C)C)[C@H](CO)O[C@H]1n1cnc2c(N[C@H]3CCc4ccccc43)ncnc21
InChIInChI=1S/C32H51N5O6Si2/c1-19(2)44(39,20(3)4)43-45(21(5)6,22(7)8)42-28-26(16-38)41-32(29(28)40-9)37-18-35-27-30(33-17-34-31(27)37)36-25-15-14-23-12-10-11-13-24(23)25/h10-13,17-22,25-26,28-29,32,38-39H,14-16H2,1-9H3,(H,33,34,36)/t25-,26-,28+,29-,32+/m0/s1
InChIKeyPPLQVXFRMGYBFS-WUWKOWAFSA-N
MW657.96 g/mol
LogP5.75
Rot. Bonds13

About [(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol

[(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol (PubChem CID 67164152) has the molecular formula C32H51N5O6Si2 and a molecular weight of 657.96 g/mol. Its IUPAC name is [(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol
PubChem CID67164152
Molecular FormulaC32H51N5O6Si2
Molecular Weight657.96 g/mol
Exact Mass657.34
IUPAC Name[(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol
SMILESCO[C@H]1[C@H](O[Si](O[Si](O)(C(C)C)C(C)C)(C(C)C)C(C)C)[C@H](CO)O[C@H]1n1cnc2c(N[C@H]3CCc4ccccc43)ncnc21
InChIInChI=1S/C32H51N5O6Si2/c1-19(2)44(39,20(3)4)43-45(21(5)6,22(7)8)42-28-26(16-38)41-32(29(28)40-9)37-18-35-27-30(33-17-34-31(27)37)36-25-15-14-23-12-10-11-13-24(23)25/h10-13,17-22,25-26,28-29,32,38-39H,14-16H2,1-9H3,(H,33,34,36)/t25-,26-,28+,29-,32+/m0/s1
InChIKeyPPLQVXFRMGYBFS-WUWKOWAFSA-N
XLogP5.75
TPSA133.01 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500657.96
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol with MolForge

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Related Compounds

[(3aR,4R,6R,6aR)-4-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;[(3aR,4R,6R,6aR)-4-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 87293253
[(2R,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] benzoate
CID 67164381
(2R,3S,4S,5R)-2-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-5-methyloxolane-3,4-diol
CID 123314267
(2R,3R,4S,5R)-2-[6-(2,3-dihydro-1H-inden-1-ylamino)purin-9-yl]-5-methyloxolane-3,4-diol
CID 70461194
[(2R,3S,4R,5R)-5-[6-(2,3-dihydro-1H-inden-1-ylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
CID 146473097
(2R,3R,4S,5R)-2-[6-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70491646
2-[(2R,3S,4R,5R)-5-[6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethanesulfonamide
CID 58296189
2-[6-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 14888630
[(2R,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]oxolan-2-yl]methyl sulfamate
CID 173050454
2-(hydroxymethyl)-5-[6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)purin-9-yl]oxolane-3,4-diol
CID 14888644
bis((2R,3R,4R,5R)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol);trihydrate
CID 71351377
(2S,3S,4R,5R)-2-[hydroxy(phenylmethoxy)methyl]-5-[6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)purin-9-yl]oxolane-3,4-diol
CID 70402133

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol?
The IUPAC name of [(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol (CID 67164152) is [(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol?
The canonical SMILES for [(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol is CO[C@H]1[C@H](O[Si](O[Si](O)(C(C)C)C(C)C)(C(C)C)C(C)C)[C@H](CO)O[C@H]1n1cnc2c(N[C@H]3CCc4ccccc43)ncnc21.
What is the InChIKey of [(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol?
The InChIKey is PPLQVXFRMGYBFS-WUWKOWAFSA-N. The full InChI is InChI=1S/C32H51N5O6Si2/c1-19(2)44(39,20(3)4)43-45(21(5)6,22(7)8)42-28-26(16-38)41-32(29(28)40-9)37-18-35-27-30(33-17-34-31(27)37)36-25-15-14-23-12-10-11-13-24(23)25/h10-13,17-22,25-26,28-29,32,38-39H,14-16H2,1-9H3,(H,33,34,36)/t25-,26-,28+,29-,32+/m0/s1.
What are the key properties of [(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol?
[(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol has a molecular weight of 657.96 g/mol, XLogP of 5.75, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R)-5-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxy-4-methoxyoxolan-2-yl]methanol is sourced from PubChem (CID 67164152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).