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

C29H56O4SSi3 — CID 11410668

IUPAC[(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Sc2ccccc2)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H56O4SSi3/c1-27(2,3)35(10,11)31-23-21-30-26(34-22-19-17-16-18-20-22)25(33-37(14,15)29(7,8)9)24(23)32-36(12,13)28(4,5)6/h16-20,23-26H,21H2,1-15H3/t23-,24+,25-,26+/m1/s1
InChIKeyMUGKIRLCPQYQCI-ZJSPYRCASA-N
MW585.09 g/mol
LogP9.31
Rot. Bonds8

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

[(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11410668) has the molecular formula C29H56O4SSi3 and a molecular weight of 585.09 g/mol. Its IUPAC name is [(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11410668
Molecular FormulaC29H56O4SSi3
Molecular Weight585.09 g/mol
Exact Mass584.32
IUPAC Name[(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Sc2ccccc2)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H56O4SSi3/c1-27(2,3)35(10,11)31-23-21-30-26(34-22-19-17-16-18-20-22)25(33-37(14,15)29(7,8)9)24(23)32-36(12,13)28(4,5)6/h16-20,23-26H,21H2,1-15H3/t23-,24+,25-,26+/m1/s1
InChIKeyMUGKIRLCPQYQCI-ZJSPYRCASA-N
XLogP9.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.09
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
alpha-D-Ribofuranoside 2,3-O-isopropylidene-1-phenylthio-5-(t-butyldimethylsilyl)-
CID 91713347
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-phenylsulfanyloxan-3-yl] acetate
CID 10451655
(3S,5S,6S)-4,5-dibutoxy-2-(butoxymethyl)-3-fluoro-6-phenylsulfanyloxane
CID 121339762
(3S,5S,6S)-3,5-dibutoxy-2-(butoxymethyl)-4-fluoro-6-phenylsulfanyloxane
CID 121339763
2-[[4-[Dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-lambda4-sulfanyl]ethyl-trimethoxysilane
CID 177125332
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
Trimethyl-(2-methylidene-6-phenylsulfanyl-4-trimethylsilyloxyhexyl)silane
CID 11132308
[(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
[(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

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 11410668) is [(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Sc2ccccc2)OC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MUGKIRLCPQYQCI-ZJSPYRCASA-N. The full InChI is InChI=1S/C29H56O4SSi3/c1-27(2,3)35(10,11)31-23-21-30-26(34-22-19-17-16-18-20-22)25(33-37(14,15)29(7,8)9)24(23)32-36(12,13)28(4,5)6/h16-20,23-26H,21H2,1-15H3/t23-,24+,25-,26+/m1/s1.
What are the key properties of [(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane?
[(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 585.09 g/mol, XLogP of 9.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11410668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).