[(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate

C17H26O10 — CID 10691788

IUPAC[(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate
SMILESCC(=O)OC[C@H](CC(C[C@H](COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
InChIInChI=1S/C17H26O10/c1-10(18)23-8-16(26-13(4)21)6-15(25-12(3)20)7-17(27-14(5)22)9-24-11(2)19/h15-17H,6-9H2,1-5H3/t15?,16-,17+
InChIKeyGIPWSRYXLADVSC-ALOPSCKCSA-N
MW390.39 g/mol
LogP0.69
Rot. Bonds11

About [(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate

[(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate (PubChem CID 10691788) has the molecular formula C17H26O10 and a molecular weight of 390.39 g/mol. Its IUPAC name is [(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate.

Molecular Properties

Compound Name[(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate
PubChem CID10691788
Molecular FormulaC17H26O10
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name[(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate
SMILESCC(=O)OC[C@H](CC(C[C@H](COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
InChIInChI=1S/C17H26O10/c1-10(18)23-8-16(26-13(4)21)6-15(25-12(3)20)7-17(27-14(5)22)9-24-11(2)19/h15-17H,6-9H2,1-5H3/t15?,16-,17+
InChIKeyGIPWSRYXLADVSC-ALOPSCKCSA-N
XLogP0.69
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexane-1,2,3,4,5,6-hexayl hexaacetate
CID 228282
Perseitol heptaacetate
CID 539123
Sorbitol hexaacetate
CID 9802952
[(2S,3S,4S,5S)-2,5-Diacetyloxy-1-deuterio-3,4-dimethoxyhexyl] acetate
CID 15608077
1,5-Anhydro-D-glucitol 2,3,4,6-Tetraacetate
CID 2728909
1,5-Anhydro-D-galactitol 2,3,4,6-tetraacetate
CID 6710916
1,5-Anhydro-d-glucitol, tetra-O-acetyl-
CID 314439
1,2,3,4,5,6-Hexa-O-acetylhexitol
CID 23613
Mannitol, 1,3,4-tri-O-methyl-, triacetate, D-
CID 22848810
2,3,4,6-tetra-o-Acetyl-alpha-D-galactopyranosyl fluoride
CID 2825888
[(1R,2R,4R,5S)-2,3,4,5-tetraacetyloxy-6-methoxycyclohexyl] acetate
CID 13846922
2,3,4,6-Tetra-O-acetyl-D-mannopyranosyl Fluoride
CID 538808

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate?
The IUPAC name of [(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate (CID 10691788) is [(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate.
What is the SMILES notation for [(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate?
The canonical SMILES for [(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate is CC(=O)OC[C@H](CC(C[C@H](COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O.
What is the InChIKey of [(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate?
The InChIKey is GIPWSRYXLADVSC-ALOPSCKCSA-N. The full InChI is InChI=1S/C17H26O10/c1-10(18)23-8-16(26-13(4)21)6-15(25-12(3)20)7-17(27-14(5)22)9-24-11(2)19/h15-17H,6-9H2,1-5H3/t15?,16-,17+.
What are the key properties of [(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate?
[(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate has a molecular weight of 390.39 g/mol, XLogP of 0.69, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,4,6,7-tetraacetyloxyheptyl] acetate is sourced from PubChem (CID 10691788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).