[(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate

C15H22O10 — CID 10451280

IUPAC[(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
SMILESCO[C@@]1(C)O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2O1
InChIInChI=1S/C15H22O10/c1-7(16)20-6-10-11(21-8(2)17)12(22-9(3)18)13-14(23-10)25-15(4,19-5)24-13/h10-14H,6H2,1-5H3/t10-,11-,12+,13+,14+,15-/m1/s1
InChIKeyAUVGRVGPAIFPSA-SPJHXALWSA-N
MW362.33 g/mol
LogP-0.13
Rot. Bonds5

About [(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate

[(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate (PubChem CID 10451280) has the molecular formula C15H22O10 and a molecular weight of 362.33 g/mol. Its IUPAC name is [(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
PubChem CID10451280
Molecular FormulaC15H22O10
Molecular Weight362.33 g/mol
Exact Mass362.12
IUPAC Name[(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
SMILESCO[C@@]1(C)O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2O1
InChIInChI=1S/C15H22O10/c1-7(16)20-6-10-11(21-8(2)17)12(22-9(3)18)13-14(23-10)25-15(4,19-5)24-13/h10-14H,6H2,1-5H3/t10-,11-,12+,13+,14+,15-/m1/s1
InChIKeyAUVGRVGPAIFPSA-SPJHXALWSA-N
XLogP-0.13
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate with MolForge

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Related Compounds

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CID 31340
beta-D-Glucose pentaacetate
CID 2724702
alpha-D-glucose pentaacetate
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1,2,3,5-Tetraacetyl-beta-D-ribofuranose
CID 83064
alpha-D-Glucopyranoside, methyl, tetraacetate
CID 95144
beta-D-Galactose pentaacetate
CID 94752
Saccharose octaacetate
CID 219904
beta-D-Glucopyranose, 1,6-anhydro-, 2,3,4-triacetate
CID 2734142
1,2,3,4-Tetraacetyl-xylopyranose
CID 11267112
D-Ribofuranose, 1,2,3,5-tetraacetate
CID 9797055
alpha-D-Glucopyranoside, methyl 6-deoxy-6-iodo-, triacetate
CID 11133767
alpha-D-Mannose pentaacetate
CID 11741089

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate?
The IUPAC name of [(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate (CID 10451280) is [(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate.
What is the SMILES notation for [(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate?
The canonical SMILES for [(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate is CO[C@@]1(C)O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2O1.
What is the InChIKey of [(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate?
The InChIKey is AUVGRVGPAIFPSA-SPJHXALWSA-N. The full InChI is InChI=1S/C15H22O10/c1-7(16)20-6-10-11(21-8(2)17)12(22-9(3)18)13-14(23-10)25-15(4,19-5)24-13/h10-14H,6H2,1-5H3/t10-,11-,12+,13+,14+,15-/m1/s1.
What are the key properties of [(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate?
[(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate has a molecular weight of 362.33 g/mol, XLogP of -0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate is sourced from PubChem (CID 10451280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).