(4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C24H47NO6Si — CID 11038065

IUPAC(4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)[C@H](C)[C@@H](O)[C@H](C)[C@H](CCO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H47NO6Si/c1-14(2)20-13-30-24(29)25(20)23(28)19(10)22(27)18(9)21(11-12-26)31-32(15(3)4,16(5)6)17(7)8/h14-22,26-27H,11-13H2,1-10H3/t18-,19-,20+,21+,22+/m1/s1
InChIKeyBJLOFVDNELUXGO-AANPDWTMSA-N
MW473.73 g/mol
LogP4.57
Rot. Bonds12

About (4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11038065) has the molecular formula C24H47NO6Si and a molecular weight of 473.73 g/mol. Its IUPAC name is (4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11038065
Molecular FormulaC24H47NO6Si
Molecular Weight473.73 g/mol
Exact Mass473.32
IUPAC Name(4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)[C@H](C)[C@@H](O)[C@H](C)[C@H](CCO)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H47NO6Si/c1-14(2)20-13-30-24(29)25(20)23(28)19(10)22(27)18(9)21(11-12-26)31-32(15(3)4,16(5)6)17(7)8/h14-22,26-27H,11-13H2,1-10H3/t18-,19-,20+,21+,22+/m1/s1
InChIKeyBJLOFVDNELUXGO-AANPDWTMSA-N
XLogP4.57
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.73
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138970673
(2R,3R)-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 90091054
(2R,3R)-3-((2S,4S)-1-(t-butoxycarbonyl)-4-((t-butyldimethylsilyl)oxy)pyrrolidin-2-yl)-3-methoxy-2-methylpropanic acid
CID 131744932
(2R,3R)-3-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 140682934
methyl (4R)-3-[(2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-3-hydroxyhexadecanoyl]-2-sulfanylidene-1,3-oxazolidine-4-carboxylate
CID 10875916
(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10982874
(4S)-3-[(2S,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11004763
(4S)-3-[(2S,4S,5R,6S)-3,5-dihydroxy-2,4,6-trimethylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11024356
(4S)-3-[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11153010
(4S)-3-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11303322
(4S)-3-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11314803
(4S)-3-[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11462948

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11038065) is (4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1COC(=O)N1C(=O)[C@H](C)[C@@H](O)[C@H](C)[C@H](CCO)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BJLOFVDNELUXGO-AANPDWTMSA-N. The full InChI is InChI=1S/C24H47NO6Si/c1-14(2)20-13-30-24(29)25(20)23(28)19(10)22(27)18(9)21(11-12-26)31-32(15(3)4,16(5)6)17(7)8/h14-22,26-27H,11-13H2,1-10H3/t18-,19-,20+,21+,22+/m1/s1.
What are the key properties of (4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 473.73 g/mol, XLogP of 4.57, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3S,4S,5S)-3,7-dihydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11038065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).