[(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane

C38H78O8SSi4 — CID 10652942

IUPAC[(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane
SMILESCOC(OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C38H78O8SSi4/c1-35(2,3)48(15,16)43-30(28-47(39,40)29-26-24-23-25-27-29)31(44-49(17,18)36(4,5)6)32(45-50(19,20)37(7,8)9)33(34(41-13)42-14)46-51(21,22)38(10,11)12/h23-27,30-34H,28H2,1-22H3/t30-,31-,32+,33-/m0/s1
InChIKeyRLARPTZIFVNHFP-SSNHPIBPSA-N
MW807.44 g/mol
LogP10.64
Rot. Bonds17

About [(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane

[(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane (PubChem CID 10652942) has the molecular formula C38H78O8SSi4 and a molecular weight of 807.44 g/mol. Its IUPAC name is [(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane
PubChem CID10652942
Molecular FormulaC38H78O8SSi4
Molecular Weight807.44 g/mol
Exact Mass806.45
IUPAC Name[(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane
SMILESCOC(OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C38H78O8SSi4/c1-35(2,3)48(15,16)43-30(28-47(39,40)29-26-24-23-25-27-29)31(44-49(17,18)36(4,5)6)32(45-50(19,20)37(7,8)9)33(34(41-13)42-14)46-51(21,22)38(10,11)12/h23-27,30-34H,28H2,1-22H3/t30-,31-,32+,33-/m0/s1
InChIKeyRLARPTZIFVNHFP-SSNHPIBPSA-N
XLogP10.64
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.44
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
[(3S,4R,5S,6S)-2-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102281305
[(2S,3R,4S,5S,6S)-2-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 132575049
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex(a)-Bes
CID 134878493
[(2S,3S)-5-(benzenesulfonyl)-2-(methoxymethoxy)-3-methylpentoxy]-tert-butyl-dimethylsilane
CID 134878980
TBDMS(-3)[Et(-4)][TBDMS(-6)]2-deoxy-D-araHex(b)-Bes
CID 134882863
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]2-deoxy-D-araHex-Bes
CID 134882885
[(2R,3R,4R,6R)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134937451
[(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134937815
[(2R,3R)-3-(benzenesulfonyl)-3-[6-(oxan-2-yloxy)hexyl]oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10481530
[(1S)-1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tri(propan-2-yl)silane
CID 15935886
(3R,4R,5R)-1-Benzenesulfonyl-2,5-di(t-butyldimethylsilyloxy)-6,6-dimethoxy-3,4-dimethyl-1-hexene
CID 54218465

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane (CID 10652942) is [(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane is COC(OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CS(=O)(=O)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane?
The InChIKey is RLARPTZIFVNHFP-SSNHPIBPSA-N. The full InChI is InChI=1S/C38H78O8SSi4/c1-35(2,3)48(15,16)43-30(28-47(39,40)29-26-24-23-25-27-29)31(44-49(17,18)36(4,5)6)32(45-50(19,20)37(7,8)9)33(34(41-13)42-14)46-51(21,22)38(10,11)12/h23-27,30-34H,28H2,1-22H3/t30-,31-,32+,33-/m0/s1.
What are the key properties of [(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane?
[(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane has a molecular weight of 807.44 g/mol, XLogP of 10.64, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-4-(benzenesulfonyl)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]butoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10652942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).