methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate

C19H28O8 — CID 102279092

IUPACmethyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate
SMILESCOC(=O)C[C@@H]1O[C@@H]2C[C@@H]3O[C@@H]4CC(=O)O[C@H]4CC[C@H]3O[C@@]2(C)C[C@@]1(C)O
InChIInChI=1S/C19H28O8/c1-18(22)9-19(2)15(26-14(18)8-16(20)23-3)6-12-11(27-19)5-4-10-13(24-12)7-17(21)25-10/h10-15,22H,4-9H2,1-3H3/t10-,11+,12-,13+,14-,15+,18+,19-/m0/s1
InChIKeyVIXDJANKAZIUIT-DMXXTZNLSA-N
MW384.43 g/mol
LogP0.87
Rot. Bonds2

About methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate

methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate (PubChem CID 102279092) has the molecular formula C19H28O8 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate
PubChem CID102279092
Molecular FormulaC19H28O8
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Namemethyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate
SMILESCOC(=O)C[C@@H]1O[C@@H]2C[C@@H]3O[C@@H]4CC(=O)O[C@H]4CC[C@H]3O[C@@]2(C)C[C@@]1(C)O
InChIInChI=1S/C19H28O8/c1-18(22)9-19(2)15(26-14(18)8-16(20)23-3)6-12-11(27-19)5-4-10-13(24-12)7-17(21)25-10/h10-15,22H,4-9H2,1-3H3/t10-,11+,12-,13+,14-,15+,18+,19-/m0/s1
InChIKeyVIXDJANKAZIUIT-DMXXTZNLSA-N
XLogP0.87
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate?
The IUPAC name of methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate (CID 102279092) is methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate.
What is the SMILES notation for methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate?
The canonical SMILES for methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate is COC(=O)C[C@@H]1O[C@@H]2C[C@@H]3O[C@@H]4CC(=O)O[C@H]4CC[C@H]3O[C@@]2(C)C[C@@]1(C)O.
What is the InChIKey of methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate?
The InChIKey is VIXDJANKAZIUIT-DMXXTZNLSA-N. The full InChI is InChI=1S/C19H28O8/c1-18(22)9-19(2)15(26-14(18)8-16(20)23-3)6-12-11(27-19)5-4-10-13(24-12)7-17(21)25-10/h10-15,22H,4-9H2,1-3H3/t10-,11+,12-,13+,14-,15+,18+,19-/m0/s1.
What are the key properties of methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate?
methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate has a molecular weight of 384.43 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,3R,7S,10R,12S,14R,15S,17R)-14-hydroxy-12,14-dimethyl-5-oxo-2,6,11,16-tetraoxatetracyclo[8.8.0.03,7.012,17]octadecan-15-yl]acetate is sourced from PubChem (CID 102279092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).