[(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate

C23H32O14 — CID 11663751

IUPAC[(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate
SMILESC=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O
InChIInChI=1S/C23H32O14/c1-9-18(32-12(3)25)20(34-14(5)27)22(36-16(7)29)23(37-17(8)30)21(35-15(6)28)19(33-13(4)26)10-31-11(2)24/h9,18-23H,1,10H2,2-8H3/t18-,19+,20-,21+,22+,23-/m0/s1
InChIKeyHEZOKFOLGBGGIW-WQANTMLLSA-N
MW532.50 g/mol
LogP0.33
Rot. Bonds14

About [(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate

[(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate (PubChem CID 11663751) has the molecular formula C23H32O14 and a molecular weight of 532.50 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate
PubChem CID11663751
Molecular FormulaC23H32O14
Molecular Weight532.50 g/mol
Exact Mass532.18
IUPAC Name[(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate
SMILESC=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O
InChIInChI=1S/C23H32O14/c1-9-18(32-12(3)25)20(34-14(5)27)22(36-16(7)29)23(37-17(8)30)21(35-15(6)28)19(33-13(4)26)10-31-11(2)24/h9,18-23H,1,10H2,2-8H3/t18-,19+,20-,21+,22+,23-/m0/s1
InChIKeyHEZOKFOLGBGGIW-WQANTMLLSA-N
XLogP0.33
TPSA184.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.50
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate with MolForge

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Related Compounds

[(2R,3S)-6-oxo-2-[(1S,2R,3S)-1,2,3-triacetyloxyheptyl]-2,3-dihydropyran-3-yl] acetate
CID 10387847
3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-1-propene
CID 11793622
[(4R,5R,6R,7S)-5,6,7-triacetyloxyundec-1-en-4-yl] prop-2-enoate
CID 11079842
[(2S,5S)-5-[(2S)-2-acetyloxybut-3-enyl]oxolan-2-yl]methyl acetate
CID 163410453
[(2R,5R)-5-[(2S)-2-acetyloxybut-3-enyl]oxolan-2-yl]methyl acetate
CID 168266628
5,6,7,9-Tetra-O-acetyl-4,8-anhydro-1,2,3-trideoxy-D-glycero-D-gulo-non-1-enitol
CID 11132445
(3,4,5-Triacetyloxy-6-ethenyloxan-2-yl)methyl acetate
CID 14212696
[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxan-2-yl]methyl acetate
CID 10738022
[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate
CID 10883206
[(2R,3R,4S,5S,6R,7R)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate
CID 11526628
[(2R,3S,4S,5R,6R)-2,3,4,5,6-pentaacetyloxyoct-7-enyl] acetate
CID 11655536
[(2R,3S,4S,5S,6R,7R)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate
CID 11699395

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate?
The IUPAC name of [(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate (CID 11663751) is [(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate?
The canonical SMILES for [(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate is C=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate?
The InChIKey is HEZOKFOLGBGGIW-WQANTMLLSA-N. The full InChI is InChI=1S/C23H32O14/c1-9-18(32-12(3)25)20(34-14(5)27)22(36-16(7)29)23(37-17(8)30)21(35-15(6)28)19(33-13(4)26)10-31-11(2)24/h9,18-23H,1,10H2,2-8H3/t18-,19+,20-,21+,22+,23-/m0/s1.
What are the key properties of [(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate?
[(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate has a molecular weight of 532.50 g/mol, XLogP of 0.33, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S,7S)-2,3,4,5,6,7-hexaacetyloxynon-8-enyl] acetate is sourced from PubChem (CID 11663751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).