[(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane

C30H58O6SSi3 — CID 134937815

IUPAC[(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILES[2H][C@]1(S(=O)(=O)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C30H58O6SSi3/c1-28(2,3)38(10,11)33-22-25-27(36-40(14,15)30(7,8)9)24(35-39(12,13)29(4,5)6)21-26(34-25)37(31,32)23-19-17-16-18-20-23/h16-20,24-27H,21-22H2,1-15H3/t24-,25-,26+,27+/m1/s1/i26D
InChIKeyYNRVDORGXZIPTD-NNEPIWMYSA-N
MW632.12 g/mol
LogP8.38
Rot. Bonds9

About [(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134937815) has the molecular formula C30H58O6SSi3 and a molecular weight of 632.12 g/mol. Its IUPAC name is [(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID134937815
Molecular FormulaC30H58O6SSi3
Molecular Weight632.12 g/mol
Exact Mass631.33
IUPAC Name[(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILES[2H][C@]1(S(=O)(=O)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C30H58O6SSi3/c1-28(2,3)38(10,11)33-22-25-27(36-40(14,15)30(7,8)9)24(35-39(12,13)29(4,5)6)21-26(34-25)37(31,32)23-19-17-16-18-20-23/h16-20,24-27H,21-22H2,1-15H3/t24-,25-,26+,27+/m1/s1/i26D
InChIKeyYNRVDORGXZIPTD-NNEPIWMYSA-N
XLogP8.38
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.12
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

PhS(-2d)[TBDMS(-3)][TBDPS(-6)]Glc1F4Me
CID 134936699
tert-Butyl-dimethyl-[4-(3-trifluoromethyl-benzenesulfonyl)-tetrahydro-pyran-2-ylmethoxy]-silane
CID 131744001
[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10914452
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900
[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane
CID 11069577
[(Z)-1-(benzenesulfonyl)-2-[(2R,3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxan-2-yl]ethenyl]-triethylsilane
CID 11092607
[(3S)-3-[(4S,5R,6R)-6-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-3-methoxyprop-1-ynyl]-tert-butyl-dimethylsilane
CID 11103057
[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11227178
[(3aR,4S,6S,7S,7aS)-2,2,6-trimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11304434

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 134937815) is [(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane is [2H][C@]1(S(=O)(=O)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is YNRVDORGXZIPTD-NNEPIWMYSA-N. The full InChI is InChI=1S/C30H58O6SSi3/c1-28(2,3)38(10,11)33-22-25-27(36-40(14,15)30(7,8)9)24(35-39(12,13)29(4,5)6)21-26(34-25)37(31,32)23-19-17-16-18-20-23/h16-20,24-27H,21-22H2,1-15H3/t24-,25-,26+,27+/m1/s1/i26D.
What are the key properties of [(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 632.12 g/mol, XLogP of 8.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,6S)-6-(benzenesulfonyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-deuteriooxan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134937815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).