[4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate

C14H19NO10 — CID 539106

IUPAC[4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1OC(C(OC(C)=O)C(N)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C14H19NO10/c1-5(16)21-10-9(11(13(15)20)22-6(2)17)25-14(24-8(4)19)12(10)23-7(3)18/h9-12,14H,1-4H3,(H2,15,20)
InChIKeyPTZFOGOLQYRAEB-UHFFFAOYSA-N
MW361.30 g/mol
LogP-1.45
Rot. Bonds6

About [4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate

[4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate (PubChem CID 539106) has the molecular formula C14H19NO10 and a molecular weight of 361.30 g/mol. Its IUPAC name is [4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate
PubChem CID539106
Molecular FormulaC14H19NO10
Molecular Weight361.30 g/mol
Exact Mass361.10
IUPAC Name[4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1OC(C(OC(C)=O)C(N)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C14H19NO10/c1-5(16)21-10-9(11(13(15)20)22-6(2)17)25-14(24-8(4)19)12(10)23-7(3)18/h9-12,14H,1-4H3,(H2,15,20)
InChIKeyPTZFOGOLQYRAEB-UHFFFAOYSA-N
XLogP-1.45
TPSA157.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[(3S,4R,5R,6S)-2,3,5-triacetyloxy-6-[(1S)-1-acetyloxyethyl]oxan-4-yl] acetate
CID 173075340
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4,5-triacetyloxyoxolan-2-yl]ethyl] acetate
CID 11954776
[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
[2-fluoro-2-[(2S,3S,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]ethyl] acetate
CID 155091138
[4-acetyloxy-2-(1-acetyloxyethyl)-5-methoxyoxolan-3-yl] acetate
CID 575602
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
CID 22212978
[(3S,5R,6S)-2,3,6-triacetyloxy-5-aminooxan-4-yl] acetate
CID 66524143
[(2S)-2-acetyloxy-2-[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]ethyl] acetate
CID 14216846
[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929
[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 34174531
[(2S,3S,4S,5R,6S)-3,5-diacetyloxy-2-[acetyloxy(methylsulfanyl)methyl]-6-methoxyoxan-4-yl] acetate
CID 134916451
[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate
CID 164775782

Frequently Asked Questions

What is the IUPAC name of [4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate?
The IUPAC name of [4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate (CID 539106) is [4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate?
The canonical SMILES for [4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate is CC(=O)OC1OC(C(OC(C)=O)C(N)=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate?
The InChIKey is PTZFOGOLQYRAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO10/c1-5(16)21-10-9(11(13(15)20)22-6(2)17)25-14(24-8(4)19)12(10)23-7(3)18/h9-12,14H,1-4H3,(H2,15,20).
What are the key properties of [4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate?
[4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate has a molecular weight of 361.30 g/mol, XLogP of -1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-diacetyloxy-2-(1-acetyloxy-2-amino-2-oxoethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 539106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).