benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate

C29H53NO6Si2 — CID 134870749

IUPACbenzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate
SMILESC=CC[C@@H](O)[C@H](NC(=O)OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H53NO6Si2/c1-12-16-24(31)26(30-27(33)34-19-22-17-14-13-15-18-22)23(20-35-37(8,9)28(2,3)4)25(32)21-36-38(10,11)29(5,6)7/h12-15,17-18,23-26,31-32H,1,16,19-21H2,2-11H3,(H,30,33)/t23-,24+,25+,26+/m0/s1
InChIKeyUCPXRNXGGDUREU-BKKFENPESA-N
MW567.92 g/mol
LogP6.24
Rot. Bonds14

About benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate

benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate (PubChem CID 134870749) has the molecular formula C29H53NO6Si2 and a molecular weight of 567.92 g/mol. Its IUPAC name is benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate
PubChem CID134870749
Molecular FormulaC29H53NO6Si2
Molecular Weight567.92 g/mol
Exact Mass567.34
IUPAC Namebenzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate
SMILESC=CC[C@@H](O)[C@H](NC(=O)OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H53NO6Si2/c1-12-16-24(31)26(30-27(33)34-19-22-17-14-13-15-18-22)23(20-35-37(8,9)28(2,3)4)25(32)21-36-38(10,11)29(5,6)7/h12-15,17-18,23-26,31-32H,1,16,19-21H2,2-11H3,(H,30,33)/t23-,24+,25+,26+/m0/s1
InChIKeyUCPXRNXGGDUREU-BKKFENPESA-N
XLogP6.24
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.92
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]carbamate
CID 71718230
tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 11079467
Benzyl (R)-(1-((tert-butyldimethylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 15298956
Benzyl ((2R,3R)-1,3-dihydroxybutan-2-yl)carbamate
CID 15475703
tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate
CID 58420082
benzyl N-[(2R,3R)-2,3-dihydroxypentyl]carbamate
CID 117743886
benzyl N-[(2S,3R)-2,3-dihydroxypentyl]carbamate
CID 117743925
benzyl N-[2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 401740
tert-butyl N-[(2R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4-(phenylmethoxymethyl)pentan-2-yl]carbamate
CID 11071025
tert-butyl N-[(2R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4-(phenylmethoxymethyl)pentan-2-yl]carbamate
CID 11123826
[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-fluorophenyl)-4-hydroxybutan-2-yl]carbamic acid
CID 69271337
tert-butyl N-[(2R,3S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)-5-hydroxyoxan-3-yl]carbamate
CID 141764690

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate (CID 134870749) is benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate is C=CC[C@@H](O)[C@H](NC(=O)OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate?
The InChIKey is UCPXRNXGGDUREU-BKKFENPESA-N. The full InChI is InChI=1S/C29H53NO6Si2/c1-12-16-24(31)26(30-27(33)34-19-22-17-14-13-15-18-22)23(20-35-37(8,9)28(2,3)4)25(32)21-36-38(10,11)29(5,6)7/h12-15,17-18,23-26,31-32H,1,16,19-21H2,2-11H3,(H,30,33)/t23-,24+,25+,26+/m0/s1.
What are the key properties of benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate?
benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate has a molecular weight of 567.92 g/mol, XLogP of 6.24, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydroxyoct-7-en-4-yl]carbamate is sourced from PubChem (CID 134870749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).