methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate

C30H37N5O3Si — CID 101357912

IUPACmethyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1C[C@H](n2cnc3c(N)ncnc32)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H37N5O3Si/c1-30(2,3)39(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-22-16-23(15-21(22)17-26(36)37-4)35-20-34-27-28(31)32-19-33-29(27)35/h5-14,19-23H,15-18H2,1-4H3,(H2,31,32,33)/t21-,22-,23+/m1/s1
InChIKeyXWPPTLKBGSJLFH-ZLNRFVROSA-N
MW543.74 g/mol
LogP4.12
Rot. Bonds8

About methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate

methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate (PubChem CID 101357912) has the molecular formula C30H37N5O3Si and a molecular weight of 543.74 g/mol. Its IUPAC name is methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate
PubChem CID101357912
Molecular FormulaC30H37N5O3Si
Molecular Weight543.74 g/mol
Exact Mass543.27
IUPAC Namemethyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate
SMILESCOC(=O)C[C@H]1C[C@H](n2cnc3c(N)ncnc32)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H37N5O3Si/c1-30(2,3)39(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-22-16-23(15-21(22)17-26(36)37-4)35-20-34-27-28(31)32-19-33-29(27)35/h5-14,19-23H,15-18H2,1-4H3,(H2,31,32,33)/t21-,22-,23+/m1/s1
InChIKeyXWPPTLKBGSJLFH-ZLNRFVROSA-N
XLogP4.12
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.74
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate with MolForge

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Related Compounds

9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine
CID 18657707
methyl 2-[(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-phenylmethoxyoxan-3-yl]acetate
CID 102161585
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol
CID 11081703
methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate
CID 15659288
(2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol
CID 70810152
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
trans-methyl (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentane-1-carboxylate
CID 140825988
N-[9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]purin-6-yl]benzamide
CID 175861640
9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine
CID 10839282
methyl 2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]acetate
CID 131858771
methyl 2-[[5-(6-aminopurin-9-yl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methylamino]acetate
CID 134459860
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate (CID 101357912) is methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate is COC(=O)C[C@H]1C[C@H](n2cnc3c(N)ncnc32)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate?
The InChIKey is XWPPTLKBGSJLFH-ZLNRFVROSA-N. The full InChI is InChI=1S/C30H37N5O3Si/c1-30(2,3)39(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-22-16-23(15-21(22)17-26(36)37-4)35-20-34-27-28(31)32-19-33-29(27)35/h5-14,19-23H,15-18H2,1-4H3,(H2,31,32,33)/t21-,22-,23+/m1/s1.
What are the key properties of methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate?
methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate has a molecular weight of 543.74 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate is sourced from PubChem (CID 101357912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).