(2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol

C31H42O7SSi — CID 10995505

IUPAC(2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol
SMILESCOC(CC(C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)(=O)c1ccccc1)(OC)OC
InChIInChI=1S/C31H42O7SSi/c1-30(2,3)40(28-18-12-8-13-19-28,29-20-14-9-15-21-29)38-24-25(32)22-27(23-31(35-4,36-5)37-6)39(33,34)26-16-10-7-11-17-26/h7-21,25,27,32H,22-24H2,1-6H3/t25-,27?/m1/s1
InChIKeyDUYACSDKFZHDEO-CSMDKSQMSA-N
MW586.82 g/mol
LogP4.14
Rot. Bonds14

About (2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol

(2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol (PubChem CID 10995505) has the molecular formula C31H42O7SSi and a molecular weight of 586.82 g/mol. Its IUPAC name is (2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol.

Molecular Properties

Compound Name(2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol
PubChem CID10995505
Molecular FormulaC31H42O7SSi
Molecular Weight586.82 g/mol
Exact Mass586.24
IUPAC Name(2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol
SMILESCOC(CC(C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)(=O)c1ccccc1)(OC)OC
InChIInChI=1S/C31H42O7SSi/c1-30(2,3)40(28-18-12-8-13-19-28,29-20-14-9-15-21-29)38-24-25(32)22-27(23-31(35-4,36-5)37-6)39(33,34)26-16-10-7-11-17-26/h7-21,25,27,32H,22-24H2,1-6H3/t25-,27?/m1/s1
InChIKeyDUYACSDKFZHDEO-CSMDKSQMSA-N
XLogP4.14
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

phenyl 6-O-(tert-butyldiphenylsilyl)-1-thio-beta-D-glucopyranoside
CID 14991429
[(4R,5S,6S)-8-(benzenesulfonyl)-5-(methoxymethoxy)-4,6-dimethyloctoxy]-tert-butyl-diphenylsilane
CID 10438503
(3S,5S)-7-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilyloctane-3,5-diol
CID 21681677
[2-(benzenesulfonyl)-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propyl]-trimethylsilane
CID 21681678
TBDPS(-6)Gal2Ac(b)-SPh
CID 101272642
[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]methanol
CID 134844713
(Z,3S,4R)-6-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10696994
(4S,5R,6S)-7-(benzenesulfonyl)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 11060415
[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-diphenylsilane
CID 15935882
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-diphenylsilane
CID 10030212
(3aS,4S,6R,7R,7aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 10554706
[(3aS,4R,6S,7R,7aS)-7-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-6-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 10602757

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol?
The IUPAC name of (2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol (CID 10995505) is (2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol.
What is the SMILES notation for (2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol?
The canonical SMILES for (2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol is COC(CC(C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)(=O)c1ccccc1)(OC)OC.
What is the InChIKey of (2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol?
The InChIKey is DUYACSDKFZHDEO-CSMDKSQMSA-N. The full InChI is InChI=1S/C31H42O7SSi/c1-30(2,3)40(28-18-12-8-13-19-28,29-20-14-9-15-21-29)38-24-25(32)22-27(23-31(35-4,36-5)37-6)39(33,34)26-16-10-7-11-17-26/h7-21,25,27,32H,22-24H2,1-6H3/t25-,27?/m1/s1.
What are the key properties of (2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol?
(2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol has a molecular weight of 586.82 g/mol, XLogP of 4.14, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(benzenesulfonyl)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trimethoxyhexan-2-ol is sourced from PubChem (CID 10995505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).