[(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate

C12H19NO8 — CID 86736895

IUPAC[(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(O)[C@H](N)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C12H19NO8/c1-5(14)18-4-8-10(19-6(2)15)11(20-7(3)16)9(13)12(17)21-8/h8-12,17H,4,13H2,1-3H3/t8-,9-,10+,11-,12?/m1/s1
InChIKeyCPMQHYGMLDFCGW-OZRWLHRGSA-N
MW305.28 g/mol
LogP-1.54
Rot. Bonds4

About [(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate

[(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate (PubChem CID 86736895) has the molecular formula C12H19NO8 and a molecular weight of 305.28 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate
PubChem CID86736895
Molecular FormulaC12H19NO8
Molecular Weight305.28 g/mol
Exact Mass305.11
IUPAC Name[(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(O)[C@H](N)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C12H19NO8/c1-5(14)18-4-8-10(19-6(2)15)11(20-7(3)16)9(13)12(17)21-8/h8-12,17H,4,13H2,1-3H3/t8-,9-,10+,11-,12?/m1/s1
InChIKeyCPMQHYGMLDFCGW-OZRWLHRGSA-N
XLogP-1.54
TPSA134.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 90927785
[(3S,5S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 118895544
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
[(5S)-3-acetyloxy-4,6-dihydroxy-5-methyloxan-2-yl]methyl acetate
CID 121245910
sulfuric acid;(3,4,6-triacetyloxy-5-aminooxan-2-yl)methyl acetate
CID 146159643
[(2R,3R,4R,5R)-5-acetamido-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903143
[(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate
CID 155096088
[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529
[(2S,3R,4S,5R)-3,4-diacetyloxy-5-sulfanyloxolan-2-yl]methyl acetate
CID 91464161
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate (CID 86736895) is [(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate is CC(=O)OC[C@H]1OC(O)[C@H](N)[C@@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate?
The InChIKey is CPMQHYGMLDFCGW-OZRWLHRGSA-N. The full InChI is InChI=1S/C12H19NO8/c1-5(14)18-4-8-10(19-6(2)15)11(20-7(3)16)9(13)12(17)21-8/h8-12,17H,4,13H2,1-3H3/t8-,9-,10+,11-,12?/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate?
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate has a molecular weight of 305.28 g/mol, XLogP of -1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-amino-6-hydroxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 86736895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).