3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide

C10H19NO6 — CID 142588207

IUPAC3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
SMILESCC(CC(N)=O)C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H19NO6/c1-4(2-6(11)13)10-9(16)8(15)7(14)5(3-12)17-10/h4-5,7-10,12,14-16H,2-3H2,1H3,(H2,11,13)/t4?,5-,7+,8+,9-,10?/m1/s1
InChIKeyCRYDMVSFUMCODG-PYMNYQIWSA-N
MW249.26 g/mol
LogP-2.66
Rot. Bonds4

About 3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide

3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide (PubChem CID 142588207) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide.

Molecular Properties

Compound Name3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
PubChem CID142588207
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
SMILESCC(CC(N)=O)C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H19NO6/c1-4(2-6(11)13)10-9(16)8(15)7(14)5(3-12)17-10/h4-5,7-10,12,14-16H,2-3H2,1H3,(H2,11,13)/t4?,5-,7+,8+,9-,10?/m1/s1
InChIKeyCRYDMVSFUMCODG-PYMNYQIWSA-N
XLogP-2.66
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-2.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 77486705
3-methyl-5-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoic acid
CID 174516009
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
2-hydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 142588205
ethyl 2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanoate
CID 134517608
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541
(2S)-2,4-diamino-4-oxobutanoic acid;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 160868512
2-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetic acid
CID 134610723
ethyl 2-hydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetate
CID 134515281
3-methylbut-2-enyl 2-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanoate
CID 134517824
3-[(2R,6S)-4,5,6-trihydroxy-7-(hydroxymethyl)oxepan-2-yl]oxybutanamide
CID 142588216
methyl 4-hydroxy-3-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoate
CID 166063465

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide?
The IUPAC name of 3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide (CID 142588207) is 3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide.
What is the SMILES notation for 3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide?
The canonical SMILES for 3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide is CC(CC(N)=O)C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide?
The InChIKey is CRYDMVSFUMCODG-PYMNYQIWSA-N. The full InChI is InChI=1S/C10H19NO6/c1-4(2-6(11)13)10-9(16)8(15)7(14)5(3-12)17-10/h4-5,7-10,12,14-16H,2-3H2,1H3,(H2,11,13)/t4?,5-,7+,8+,9-,10?/m1/s1.
What are the key properties of 3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide?
3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide has a molecular weight of 249.26 g/mol, XLogP of -2.66, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide is sourced from PubChem (CID 142588207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).