[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate

C19H24N2O10S — CID 71745680

IUPAC[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](Nc2ncc(C(C)=O)s2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C19H24N2O10S/c1-8(22)14-6-20-19(32-14)21-18-17(30-12(5)26)16(29-11(4)25)15(28-10(3)24)13(31-18)7-27-9(2)23/h6,13,15-18H,7H2,1-5H3,(H,20,21)/t13-,15-,16+,17+,18+/m1/s1
InChIKeyXKDWFGYROPKPIG-MWIANEHASA-N
MW472.47 g/mol
LogP0.84
Rot. Bonds8

About [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate

[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate (PubChem CID 71745680) has the molecular formula C19H24N2O10S and a molecular weight of 472.47 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate
PubChem CID71745680
Molecular FormulaC19H24N2O10S
Molecular Weight472.47 g/mol
Exact Mass472.12
IUPAC Name[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](Nc2ncc(C(C)=O)s2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C19H24N2O10S/c1-8(22)14-6-20-19(32-14)21-18-17(30-12(5)26)16(29-11(4)25)15(28-10(3)24)13(31-18)7-27-9(2)23/h6,13,15-18H,7H2,1-5H3,(H,20,21)/t13-,15-,16+,17+,18+/m1/s1
InChIKeyXKDWFGYROPKPIG-MWIANEHASA-N
XLogP0.84
TPSA156.42 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-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 [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate (CID 71745680) is [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](Nc2ncc(C(C)=O)s2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate?
The InChIKey is XKDWFGYROPKPIG-MWIANEHASA-N. The full InChI is InChI=1S/C19H24N2O10S/c1-8(22)14-6-20-19(32-14)21-18-17(30-12(5)26)16(29-11(4)25)15(28-10(3)24)13(31-18)7-27-9(2)23/h6,13,15-18H,7H2,1-5H3,(H,20,21)/t13-,15-,16+,17+,18+/m1/s1.
What are the key properties of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate?
[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate has a molecular weight of 472.47 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(5-acetyl-1,3-thiazol-2-yl)amino]oxan-2-yl]methyl acetate is sourced from PubChem (CID 71745680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).