(4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate

C15H23NO7 — CID 123778252

IUPAC(4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate
SMILESC=CCC1OC(COC(C)=O)C(N)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C15H23NO7/c1-5-6-11-14(21-9(3)18)15(22-10(4)19)13(16)12(23-11)7-20-8(2)17/h5,11-15H,1,6-7,16H2,2-4H3
InChIKeyRCBMATXBHVPULX-UHFFFAOYSA-N
MW329.35 g/mol
LogP0.08
Rot. Bonds6

About (4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate

(4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate (PubChem CID 123778252) has the molecular formula C15H23NO7 and a molecular weight of 329.35 g/mol. Its IUPAC name is (4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate.

Molecular Properties

Compound Name(4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate
PubChem CID123778252
Molecular FormulaC15H23NO7
Molecular Weight329.35 g/mol
Exact Mass329.15
IUPAC Name(4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate
SMILESC=CCC1OC(COC(C)=O)C(N)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C15H23NO7/c1-5-6-11-14(21-9(3)18)15(22-10(4)19)13(16)12(23-11)7-20-8(2)17/h5,11-15H,1,6-7,16H2,2-4H3
InChIKeyRCBMATXBHVPULX-UHFFFAOYSA-N
XLogP0.08
TPSA114.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate?
The IUPAC name of (4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate (CID 123778252) is (4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate.
What is the SMILES notation for (4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate?
The canonical SMILES for (4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate is C=CCC1OC(COC(C)=O)C(N)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of (4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate?
The InChIKey is RCBMATXBHVPULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO7/c1-5-6-11-14(21-9(3)18)15(22-10(4)19)13(16)12(23-11)7-20-8(2)17/h5,11-15H,1,6-7,16H2,2-4H3.
What are the key properties of (4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate?
(4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate has a molecular weight of 329.35 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diacetyloxy-3-amino-6-prop-2-enyloxan-2-yl)methyl acetate is sourced from PubChem (CID 123778252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).