(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

C27H35NO6 — CID 6708987

IUPAC(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@H]1OC(=CCCCCCCCCCO)C=CC1=O
InChIInChI=1S/C27H35NO6/c1-20(26(31)28-23(19-33-27(28)32)21-13-9-8-10-14-21)25-24(30)17-16-22(34-25)15-11-6-4-2-3-5-7-12-18-29/h8-10,13-17,20,23,25,29H,2-7,11-12,18-19H2,1H3/t20-,23+,25-/m1/s1
InChIKeyPXBQWMSPCUMPRK-JHMXWDHMSA-N
MW469.58 g/mol
LogP4.86
Rot. Bonds12

About (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 6708987) has the molecular formula C27H35NO6 and a molecular weight of 469.58 g/mol. Its IUPAC name is (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID6708987
Molecular FormulaC27H35NO6
Molecular Weight469.58 g/mol
Exact Mass469.25
IUPAC Name(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@H]1OC(=CCCCCCCCCCO)C=CC1=O
InChIInChI=1S/C27H35NO6/c1-20(26(31)28-23(19-33-27(28)32)21-13-9-8-10-14-21)25-24(30)17-16-22(34-25)15-11-6-4-2-3-5-7-12-18-29/h8-10,13-17,20,23,25,29H,2-7,11-12,18-19H2,1H3/t20-,23+,25-/m1/s1
InChIKeyPXBQWMSPCUMPRK-JHMXWDHMSA-N
XLogP4.86
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 6708987) is (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@H]1OC(=CCCCCCCCCCO)C=CC1=O.
What is the InChIKey of (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is PXBQWMSPCUMPRK-JHMXWDHMSA-N. The full InChI is InChI=1S/C27H35NO6/c1-20(26(31)28-23(19-33-27(28)32)21-13-9-8-10-14-21)25-24(30)17-16-22(34-25)15-11-6-4-2-3-5-7-12-18-29/h8-10,13-17,20,23,25,29H,2-7,11-12,18-19H2,1H3/t20-,23+,25-/m1/s1.
What are the key properties of (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 469.58 g/mol, XLogP of 4.86, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R)-2-[(2R)-6-(10-hydroxydecylidene)-3-oxopyran-2-yl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 6708987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).