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

C36H68O5S2Si3 — CID 135022720

IUPAC[(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1O[C@H](Sc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1S[C@@H]1CC(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C36H68O5S2Si3/c1-25-32(41-46(16,17)36(9,10)11)28(39-44(12,13)34(3,4)5)23-31(37-25)43-33-26(2)38-30(42-27-21-19-18-20-22-27)24-29(33)40-45(14,15)35(6,7)8/h18-22,25-26,28-33H,23-24H2,1-17H3/t25-,26?,28?,29+,30+,31+,32+,33+/m0/s1
InChIKeyWTCJGEABRAPKFW-HKXXLVEBSA-N
MW729.33 g/mol
LogP11.32
Rot. Bonds10

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

[(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 135022720) has the molecular formula C36H68O5S2Si3 and a molecular weight of 729.33 g/mol. Its IUPAC name is [(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID135022720
Molecular FormulaC36H68O5S2Si3
Molecular Weight729.33 g/mol
Exact Mass728.38
IUPAC Name[(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1O[C@H](Sc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1S[C@@H]1CC(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C36H68O5S2Si3/c1-25-32(41-46(16,17)36(9,10)11)28(39-44(12,13)34(3,4)5)23-31(37-25)43-33-26(2)38-30(42-27-21-19-18-20-22-27)24-29(33)40-45(14,15)35(6,7)8/h18-22,25-26,28-33H,23-24H2,1-17H3/t25-,26?,28?,29+,30+,31+,32+,33+/m0/s1
InChIKeyWTCJGEABRAPKFW-HKXXLVEBSA-N
XLogP11.32
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.33
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 135022720) is [(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane is CC1O[C@H](Sc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1S[C@@H]1CC(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1.
What is the InChIKey of [(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is WTCJGEABRAPKFW-HKXXLVEBSA-N. The full InChI is InChI=1S/C36H68O5S2Si3/c1-25-32(41-46(16,17)36(9,10)11)28(39-44(12,13)34(3,4)5)23-31(37-25)43-33-26(2)38-30(42-27-21-19-18-20-22-27)24-29(33)40-45(14,15)35(6,7)8/h18-22,25-26,28-33H,23-24H2,1-17H3/t25-,26?,28?,29+,30+,31+,32+,33+/m0/s1.
What are the key properties of [(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
[(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 729.33 g/mol, XLogP of 11.32, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,6R)-3-[(2R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]sulfanyl-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 135022720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).