(4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one

C28H37NO7 — CID 11649008

IUPAC(4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(COC[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C28H37NO7/c1-18(15-35-16-22-10-12-24(34-4)13-11-22)25(30)19(2)26(31)20(3)27(32)29-23(17-36-28(29)33)14-21-8-6-5-7-9-21/h5-13,18-20,23,25-26,30-31H,14-17H2,1-4H3/t18-,19+,20-,23-,25-,26-/m1/s1
InChIKeyZOBCJVLREAAZMQ-CGERSKTJSA-N
MW499.60 g/mol
LogP3.43
Rot. Bonds12

About (4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one (PubChem CID 11649008) has the molecular formula C28H37NO7 and a molecular weight of 499.60 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one
PubChem CID11649008
Molecular FormulaC28H37NO7
Molecular Weight499.60 g/mol
Exact Mass499.26
IUPAC Name(4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(COC[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C28H37NO7/c1-18(15-35-16-22-10-12-24(34-4)13-11-22)25(30)19(2)26(31)20(3)27(32)29-23(17-36-28(29)33)14-21-8-6-5-7-9-21/h5-13,18-20,23,25-26,30-31H,14-17H2,1-4H3/t18-,19+,20-,23-,25-,26-/m1/s1
InChIKeyZOBCJVLREAAZMQ-CGERSKTJSA-N
XLogP3.43
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one (CID 11649008) is (4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one is COc1ccc(COC[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
The InChIKey is ZOBCJVLREAAZMQ-CGERSKTJSA-N. The full InChI is InChI=1S/C28H37NO7/c1-18(15-35-16-22-10-12-24(34-4)13-11-22)25(30)19(2)26(31)20(3)27(32)29-23(17-36-28(29)33)14-21-8-6-5-7-9-21/h5-13,18-20,23,25-26,30-31H,14-17H2,1-4H3/t18-,19+,20-,23-,25-,26-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one has a molecular weight of 499.60 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11649008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).