tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane

C30H54O4S2Si2 — CID 135022832

IUPACtert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
SMILESCC1O[C@H](Sc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1S[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C30H54O4S2Si2/c1-21-24(33-37(9,10)29(3,4)5)18-19-26(31-21)36-28-22(2)32-27(35-23-16-14-13-15-17-23)20-25(28)34-38(11,12)30(6,7)8/h13-17,21-22,24-28H,18-20H2,1-12H3/t21-,22?,24-,25+,26-,27+,28-/m0/s1
InChIKeyDRYVYKKKMSUZDN-VUUZMNINSA-N
MW599.06 g/mol
LogP9.32
Rot. Bonds8

About tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane

tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane (PubChem CID 135022832) has the molecular formula C30H54O4S2Si2 and a molecular weight of 599.06 g/mol. Its IUPAC name is tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
PubChem CID135022832
Molecular FormulaC30H54O4S2Si2
Molecular Weight599.06 g/mol
Exact Mass598.30
IUPAC Nametert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
SMILESCC1O[C@H](Sc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1S[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C30H54O4S2Si2/c1-21-24(33-37(9,10)29(3,4)5)18-19-26(31-21)36-28-22(2)32-27(35-23-16-14-13-15-17-23)20-25(28)34-38(11,12)30(6,7)8/h13-17,21-22,24-28H,18-20H2,1-12H3/t21-,22?,24-,25+,26-,27+,28-/m0/s1
InChIKeyDRYVYKKKMSUZDN-VUUZMNINSA-N
XLogP9.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.06
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane 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

PhS(-2d)[TBDMS(-3)][TBDPS(-6)]Glc1F4Me
CID 134936699
[(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
[(4S)-2,2-dimethyl-6-phenylsulfanyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 11338853
TBDMS(-3)[TBDMS(-5)]2-deoxy-D-eryPenf-SPh
CID 11408425
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]Xyl(b)-SPh
CID 11410668
(2R,3S,4S,5S,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 11773595
4-Methylphenyl 1-thio-2,3,4,6-tetrakis-O-(trimethylsilyl)-beta-D-glucopyranoside
CID 44195756
tert-butyl-[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane
CID 101860154
[(4aR,8R,8aR)-2,2-ditert-butyl-6-phenylsulfanyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 102212916
[(3S,4R,5S,6S)-2-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102281305
phenyl 2-O-acetyl-3,4-bis-O-(triethylsilyl)-1-thio-beta-l-arabinopyranoside
CID 129755566
[(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane (CID 135022832) is tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane is CC1O[C@H](Sc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1S[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1.
What is the InChIKey of tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
The InChIKey is DRYVYKKKMSUZDN-VUUZMNINSA-N. The full InChI is InChI=1S/C30H54O4S2Si2/c1-21-24(33-37(9,10)29(3,4)5)18-19-26(31-21)36-28-22(2)32-27(35-23-16-14-13-15-17-23)20-25(28)34-38(11,12)30(6,7)8/h13-17,21-22,24-28H,18-20H2,1-12H3/t21-,22?,24-,25+,26-,27+,28-/m0/s1.
What are the key properties of tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane has a molecular weight of 599.06 g/mol, XLogP of 9.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R,6R)-3-[(2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 135022832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).