[(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate

C19H23NO8 — CID 134558439

IUPAC[(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate
SMILESCC(=O)OCC1OCC(NC(=O)c2ccccc2)C(OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C19H23NO8/c1-11(21)25-10-16-18(28-13(3)23)17(27-12(2)22)15(9-26-16)20-19(24)14-7-5-4-6-8-14/h4-8,15-18H,9-10H2,1-3H3,(H,20,24)/t15?,16?,17?,18-/m0/s1
InChIKeyVHKWPGDLPJNEQG-HLYMMOCJSA-N
MW393.39 g/mol
LogP0.61
Rot. Bonds6

About [(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate

[(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate (PubChem CID 134558439) has the molecular formula C19H23NO8 and a molecular weight of 393.39 g/mol. Its IUPAC name is [(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate
PubChem CID134558439
Molecular FormulaC19H23NO8
Molecular Weight393.39 g/mol
Exact Mass393.14
IUPAC Name[(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate
SMILESCC(=O)OCC1OCC(NC(=O)c2ccccc2)C(OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C19H23NO8/c1-11(21)25-10-16-18(28-13(3)23)17(27-12(2)22)15(9-26-16)20-19(24)14-7-5-4-6-8-14/h4-8,15-18H,9-10H2,1-3H3,(H,20,24)/t15?,16?,17?,18-/m0/s1
InChIKeyVHKWPGDLPJNEQG-HLYMMOCJSA-N
XLogP0.61
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4R,5S)-3,4,6-triacetyloxy-5-benzamidooxan-2-yl]methyl acetate
CID 134554132
[(3R,4R)-3,4,6-triacetyloxy-5-benzamidooxan-2-yl]methyl acetate
CID 118891119
[(2R,3S,4R,5S,6R)-3,4-diacetyloxy-5-benzamido-6-bromooxan-2-yl]methyl acetate
CID 70005144
[(2R,3S,4R,5R)-3,4-diacetyloxy-5-[(N-ethyl-C-methylsulfanylcarbonimidoyl)amino]oxan-2-yl]methyl acetate
CID 71134959
[(2R,3R,4S,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl] benzoate
CID 70004988
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-diphenoxyphosphoryloxyoxan-2-yl]methyl acetate
CID 15720037
[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] benzoate
CID 12900809
[(3S,4R)-5-acetamido-3-methyl-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 66677372
[(2R,3S,4R,5S,6S)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] benzoate
CID 40837388
methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(3R,4R,5R,6R)-2,5-diacetyloxy-6-(acetyloxymethyl)-3-benzamidooxan-4-yl]oxyoxane-2-carboxylate
CID 101267473
[(2R,3R,4S,5S,6R)-5,6-diacetyloxy-2-(acetyloxymethyl)-4-benzoyloxyoxan-3-yl] benzoate
CID 11237618
[3,4,6-triacetyloxy-5-[(4-acetyloxybenzoyl)amino]oxan-2-yl]methyl acetate
CID 5082995

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate?
The IUPAC name of [(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate (CID 134558439) is [(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate.
What is the SMILES notation for [(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate?
The canonical SMILES for [(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate is CC(=O)OCC1OCC(NC(=O)c2ccccc2)C(OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate?
The InChIKey is VHKWPGDLPJNEQG-HLYMMOCJSA-N. The full InChI is InChI=1S/C19H23NO8/c1-11(21)25-10-16-18(28-13(3)23)17(27-12(2)22)15(9-26-16)20-19(24)14-7-5-4-6-8-14/h4-8,15-18H,9-10H2,1-3H3,(H,20,24)/t15?,16?,17?,18-/m0/s1.
What are the key properties of [(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate?
[(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate has a molecular weight of 393.39 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-diacetyloxy-5-benzamidooxan-2-yl]methyl acetate is sourced from PubChem (CID 134558439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).