(2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one

C25H38O5 — CID 53355993

IUPAC(2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/CC/C(=C/C[C@H]1OC(=O)C=C1CO)CO)CO
InChIInChI=1S/C25H38O5/c1-19(9-5-11-21(3)16-26)7-4-8-20(2)10-6-12-22(17-27)13-14-24-23(18-28)15-25(29)30-24/h7,10-11,13,15,24,26-28H,4-6,8-9,12,14,16-18H2,1-3H3/b19-7+,20-10+,21-11+,22-13-/t24-/m1/s1
InChIKeyQYNVMFGBDSWBRM-YLASZLQJSA-N
MW418.57 g/mol
LogP4.31
Rot. Bonds14

About (2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one

(2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one (PubChem CID 53355993) has the molecular formula C25H38O5 and a molecular weight of 418.57 g/mol. Its IUPAC name is (2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one
PubChem CID53355993
Molecular FormulaC25H38O5
Molecular Weight418.57 g/mol
Exact Mass418.27
IUPAC Name(2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/CC/C(=C/C[C@H]1OC(=O)C=C1CO)CO)CO
InChIInChI=1S/C25H38O5/c1-19(9-5-11-21(3)16-26)7-4-8-20(2)10-6-12-22(17-27)13-14-24-23(18-28)15-25(29)30-24/h7,10-11,13,15,24,26-28H,4-6,8-9,12,14,16-18H2,1-3H3/b19-7+,20-10+,21-11+,22-13-/t24-/m1/s1
InChIKeyQYNVMFGBDSWBRM-YLASZLQJSA-N
XLogP4.31
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one with MolForge

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Related Compounds

Macrolactin A
CID 10949443
Cavipetin D
CID 14527064
5-Hydroxy-4-[6-hydroxy-5-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl)-3,6-dihydro-2H-pyran-2-yl]-5H-furan-2-one
CID 10024065
(6Z)-neomanoalide
CID 10001183
Boletinin F
CID 11429615
Hippolide E
CID 53355992
chaxalactin A, (rel)-
CID 54671551
Aruncin A
CID 54586593
Macrolactin I
CID 6390938
Macrolactin M
CID 9888162
Macrolactin H
CID 9978474
Macrolactin G
CID 11741844

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one?
The IUPAC name of (2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one (CID 53355993) is (2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one is C/C(=C\CC/C(C)=C/CC/C(C)=C/CC/C(=C/C[C@H]1OC(=O)C=C1CO)CO)CO.
What is the InChIKey of (2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one?
The InChIKey is QYNVMFGBDSWBRM-YLASZLQJSA-N. The full InChI is InChI=1S/C25H38O5/c1-19(9-5-11-21(3)16-26)7-4-8-20(2)10-6-12-22(17-27)13-14-24-23(18-28)15-25(29)30-24/h7,10-11,13,15,24,26-28H,4-6,8-9,12,14,16-18H2,1-3H3/b19-7+,20-10+,21-11+,22-13-/t24-/m1/s1.
What are the key properties of (2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one?
(2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one has a molecular weight of 418.57 g/mol, XLogP of 4.31, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2Z,6E,10E,14E)-16-hydroxy-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-3-(hydroxymethyl)-2H-furan-5-one is sourced from PubChem (CID 53355993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).