(3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide

C10H19NO6 — CID 163647847

IUPAC(3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide
SMILESCCC(C)O[C@@H]1OC(C(N)=O)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C10H19NO6/c1-3-4(2)16-10-7(14)5(12)6(13)8(17-10)9(11)15/h4-8,10,12-14H,3H2,1-2H3,(H2,11,15)/t4?,5?,6-,7-,8?,10+/m0/s1
InChIKeyXYPGSLVHNQEGDA-GBVQLCOASA-N
MW249.26 g/mol
LogP-1.91
Rot. Bonds4

About (3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide

(3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide (PubChem CID 163647847) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is (3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide.

Molecular Properties

Compound Name(3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide
PubChem CID163647847
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name(3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide
SMILESCCC(C)O[C@@H]1OC(C(N)=O)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C10H19NO6/c1-3-4(2)16-10-7(14)5(12)6(13)8(17-10)9(11)15/h4-8,10,12-14H,3H2,1-2H3,(H2,11,15)/t4?,5?,6-,7-,8?,10+/m0/s1
InChIKeyXYPGSLVHNQEGDA-GBVQLCOASA-N
XLogP-1.91
TPSA122.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5S,6S)-3,4,5-trihydroxy-6-(1-hydroxypropan-2-yloxy)oxane-2-carboxamide
CID 163707465
(3R,4S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163904294
(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163679264
(2R,3R,5S)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163580885
(3S,4S,6S)-6-(1-carboxypropan-2-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163580431
(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-pentan-3-yloxyoxane-2-carboxylic acid
CID 170209447
(2S,3S,4S,5R,6R)-6-[(2R)-5-carbamoyloxy-4-(carbamoyloxymethyl)-4-methylpentan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 162991731
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(5-oxohexan-2-yloxy)oxane-2-carboxylic acid
CID 101011011
4,5-dihydroxy-6-(1-iodoethoxy)-3-propan-2-yloxane-2-carboxamide
CID 166802326
6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 162993704
(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 101103271
(2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol
CID 54121155

Frequently Asked Questions

What is the IUPAC name of (3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide?
The IUPAC name of (3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide (CID 163647847) is (3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide.
What is the SMILES notation for (3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide?
The canonical SMILES for (3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide is CCC(C)O[C@@H]1OC(C(N)=O)[C@@H](O)C(O)[C@@H]1O.
What is the InChIKey of (3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide?
The InChIKey is XYPGSLVHNQEGDA-GBVQLCOASA-N. The full InChI is InChI=1S/C10H19NO6/c1-3-4(2)16-10-7(14)5(12)6(13)8(17-10)9(11)15/h4-8,10,12-14H,3H2,1-2H3,(H2,11,15)/t4?,5?,6-,7-,8?,10+/m0/s1.
What are the key properties of (3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide?
(3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide has a molecular weight of 249.26 g/mol, XLogP of -1.91, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide is sourced from PubChem (CID 163647847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).