[(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate

C15H23NO8 — CID 10893332

IUPAC[(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate
SMILESCC(=O)N[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](OC(C)=O)O[C@@H]1COC(C)=O
InChIInChI=1S/C15H23NO8/c1-7(17)16-11-10(6-20-8(2)18)22-14(21-9(3)19)13-12(11)23-15(4,5)24-13/h10-14H,6H2,1-5H3,(H,16,17)/t10-,11-,12+,13+,14+/m1/s1
InChIKeyAZONBDYHCAOPSE-DGTMBMJNSA-N
MW345.35 g/mol
LogP-0.14
Rot. Bonds4

About [(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate

[(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate (PubChem CID 10893332) has the molecular formula C15H23NO8 and a molecular weight of 345.35 g/mol. Its IUPAC name is [(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate.

Molecular Properties

Compound Name[(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate
PubChem CID10893332
Molecular FormulaC15H23NO8
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name[(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate
SMILESCC(=O)N[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](OC(C)=O)O[C@@H]1COC(C)=O
InChIInChI=1S/C15H23NO8/c1-7(17)16-11-10(6-20-8(2)18)22-14(21-9(3)19)13-12(11)23-15(4,5)24-13/h10-14H,6H2,1-5H3,(H,16,17)/t10-,11-,12+,13+,14+/m1/s1
InChIKeyAZONBDYHCAOPSE-DGTMBMJNSA-N
XLogP-0.14
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate?
The IUPAC name of [(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate (CID 10893332) is [(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate.
What is the SMILES notation for [(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate?
The canonical SMILES for [(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate is CC(=O)N[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](OC(C)=O)O[C@@H]1COC(C)=O.
What is the InChIKey of [(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate?
The InChIKey is AZONBDYHCAOPSE-DGTMBMJNSA-N. The full InChI is InChI=1S/C15H23NO8/c1-7(17)16-11-10(6-20-8(2)18)22-14(21-9(3)19)13-12(11)23-15(4,5)24-13/h10-14H,6H2,1-5H3,(H,16,17)/t10-,11-,12+,13+,14+/m1/s1.
What are the key properties of [(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate?
[(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate has a molecular weight of 345.35 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,6S,7R,7aS)-7-acetamido-4-acetyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl acetate is sourced from PubChem (CID 10893332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).