(4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one

C34H43NO5Si — CID 166524573

IUPAC(4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](OCCCCC[C@@H](O)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H43NO5Si/c1-34(2,3)41(30-19-11-5-12-20-30,31-21-13-6-14-22-31)40-23-15-7-10-18-29(36)25-32(37)35-28(26-39-33(35)38)24-27-16-8-4-9-17-27/h4-6,8-9,11-14,16-17,19-22,28-29,36H,7,10,15,18,23-26H2,1-3H3/t28-,29+/m0/s1
InChIKeyCREDNAODQNKXCU-URLMMPGGSA-N
MW573.81 g/mol
LogP5.46
Rot. Bonds13

About (4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one (PubChem CID 166524573) has the molecular formula C34H43NO5Si and a molecular weight of 573.81 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one
PubChem CID166524573
Molecular FormulaC34H43NO5Si
Molecular Weight573.81 g/mol
Exact Mass573.29
IUPAC Name(4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](OCCCCC[C@@H](O)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H43NO5Si/c1-34(2,3)41(30-19-11-5-12-20-30,31-21-13-6-14-22-31)40-23-15-7-10-18-29(36)25-32(37)35-28(26-39-33(35)38)24-27-16-8-4-9-17-27/h4-6,8-9,11-14,16-17,19-22,28-29,36H,7,10,15,18,23-26H2,1-3H3/t28-,29+/m0/s1
InChIKeyCREDNAODQNKXCU-URLMMPGGSA-N
XLogP5.46
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.81
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 49846980
CID 49846980
CID 49846983
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CID 49847056
CID 49847056
CID 102046797
CID 102046797
CID 11022653
CID 11022653
CID 11495484
CID 11495484
CID 11953396
CID 11953396
CID 12099261
CID 12099261
CID 15349603
CID 15349603
CID 53470471
CID 53470471
CID 67113561
CID 67113561
CID 89857080
CID 89857080

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one (CID 166524573) is (4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](OCCCCC[C@@H](O)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one?
The InChIKey is CREDNAODQNKXCU-URLMMPGGSA-N. The full InChI is InChI=1S/C34H43NO5Si/c1-34(2,3)41(30-19-11-5-12-20-30,31-21-13-6-14-22-31)40-23-15-7-10-18-29(36)25-32(37)35-28(26-39-33(35)38)24-27-16-8-4-9-17-27/h4-6,8-9,11-14,16-17,19-22,28-29,36H,7,10,15,18,23-26H2,1-3H3/t28-,29+/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one has a molecular weight of 573.81 g/mol, XLogP of 5.46, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(3R)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166524573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).