(4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one

C20H35NO8 — CID 10526014

IUPAC(4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1O[C@H](CCCC(=O)N2C(=O)OC[C@@H]2C(C)C)[C@H](OC)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C20H35NO8/c1-12(2)13-10-28-20(23)21(13)16(22)9-7-8-14-17(25-4)19(27-6)18(26-5)15(29-14)11-24-3/h12-15,17-19H,7-11H2,1-6H3/t13-,14-,15-,17+,18+,19-/m1/s1
InChIKeyVDAUXLFIPDAQBN-QXRKFJRXSA-N
MW417.50 g/mol
LogP1.62
Rot. Bonds10

About (4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 10526014) has the molecular formula C20H35NO8 and a molecular weight of 417.50 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one
PubChem CID10526014
Molecular FormulaC20H35NO8
Molecular Weight417.50 g/mol
Exact Mass417.24
IUPAC Name(4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1O[C@H](CCCC(=O)N2C(=O)OC[C@@H]2C(C)C)[C@H](OC)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C20H35NO8/c1-12(2)13-10-28-20(23)21(13)16(22)9-7-8-14-17(25-4)19(27-6)18(26-5)15(29-14)11-24-3/h12-15,17-19H,7-11H2,1-6H3/t13-,14-,15-,17+,18+,19-/m1/s1
InChIKeyVDAUXLFIPDAQBN-QXRKFJRXSA-N
XLogP1.62
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one (CID 10526014) is (4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one is COC[C@H]1O[C@H](CCCC(=O)N2C(=O)OC[C@@H]2C(C)C)[C@H](OC)[C@@H](OC)[C@H]1OC.
What is the InChIKey of (4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is VDAUXLFIPDAQBN-QXRKFJRXSA-N. The full InChI is InChI=1S/C20H35NO8/c1-12(2)13-10-28-20(23)21(13)16(22)9-7-8-14-17(25-4)19(27-6)18(26-5)15(29-14)11-24-3/h12-15,17-19H,7-11H2,1-6H3/t13-,14-,15-,17+,18+,19-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 417.50 g/mol, XLogP of 1.62, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[4-[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10526014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).