(2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol

C38H74O8SSi3 — CID 139249861

About (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol

(2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol (PubChem CID 139249861) has the molecular formula C38H74O8SSi3 and a molecular weight of 775.33 g/mol. Its IUPAC name is (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol.

Molecular Properties

• Compound Name: (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol
• PubChem CID: 139249861
• Molecular Formula: C38H74O8SSi3
• Molecular Weight: 775.33 g/mol
• Exact Mass: 774.44
• IUPAC Name: (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol
• SMILES: CO[C@@]1(C(C)(C)CS(=O)(=O)c2ccccc2)O[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C38H74O8SSi3/c1-28(44-48(14,15)34(2,3)4)32(45-49(16,17)35(5,6)7)26-29-25-31(39)33(46-50(18,19)36(8,9)10)38(42-13,43-29)37(11,12)27-47(40,41)30-23-21-20-22-24-30/h20-24,28-29,31-33,39H,25-27H2,1-19H3/t28-,29+,31-,32-,33+,38-/m1/s1
• InChIKey: VDYWOTRZMIIIOH-BOYPOWSXSA-N
• XLogP: 9.56
• TPSA: 100.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.33
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol?

The IUPAC name of (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol (CID 139249861) is (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol.

What is the SMILES notation for (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol?

The canonical SMILES for (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol is CO[C@@]1(C(C)(C)CS(=O)(=O)c2ccccc2)O[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol?

The InChIKey is VDYWOTRZMIIIOH-BOYPOWSXSA-N. The full InChI is InChI=1S/C38H74O8SSi3/c1-28(44-48(14,15)34(2,3)4)32(45-49(16,17)35(5,6)7)26-29-25-31(39)33(46-50(18,19)36(8,9)10)38(42-13,43-29)37(11,12)27-47(40,41)30-23-21-20-22-24-30/h20-24,28-29,31-33,39H,25-27H2,1-19H3/t28-,29+,31-,32-,33+,38-/m1/s1.

What are the key properties of (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol?

(2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol has a molecular weight of 775.33 g/mol, XLogP of 9.56, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4R,6S)-2-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-6-[(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyoxan-4-ol is sourced from PubChem (CID 139249861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).