(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid

C10H21NO7 — CID 134501433

IUPAC(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid
SMILESCCCC(=O)O.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5.C4H8O2/c7-3-5(10)4(9)2(1-8)12-6(3)11;1-2-3-4(5)6/h2-6,8-11H,1,7H2;2-3H2,1H3,(H,5,6)/t2-,3-,4-,5-,6?;/m1./s1
InChIKeyKUQFQRFOOQDMFS-NSEZLWDYSA-N
MW267.28 g/mol
LogP-2.38
Rot. Bonds3

About (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid

(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid (PubChem CID 134501433) has the molecular formula C10H21NO7 and a molecular weight of 267.28 g/mol. Its IUPAC name is (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid.

Molecular Properties

Compound Name(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid
PubChem CID134501433
Molecular FormulaC10H21NO7
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid
SMILESCCCC(=O)O.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5.C4H8O2/c7-3-5(10)4(9)2(1-8)12-6(3)11;1-2-3-4(5)6/h2-6,8-11H,1,7H2;2-3H2,1H3,(H,5,6)/t2-,3-,4-,5-,6?;/m1./s1
InChIKeyKUQFQRFOOQDMFS-NSEZLWDYSA-N
XLogP-2.38
TPSA153.47 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.28
LogP ≤ 5-2.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanedioic acid
CID 158933659
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid
CID 66583672
(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 159537443
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
actinium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58582833
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride
CID 159661735
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrofluoride
CID 139962183

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid?
The IUPAC name of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid (CID 134501433) is (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid.
What is the SMILES notation for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid?
The canonical SMILES for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid is CCCC(=O)O.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid?
The InChIKey is KUQFQRFOOQDMFS-NSEZLWDYSA-N. The full InChI is InChI=1S/C6H13NO5.C4H8O2/c7-3-5(10)4(9)2(1-8)12-6(3)11;1-2-3-4(5)6/h2-6,8-11H,1,7H2;2-3H2,1H3,(H,5,6)/t2-,3-,4-,5-,6?;/m1./s1.
What are the key properties of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid?
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid has a molecular weight of 267.28 g/mol, XLogP of -2.38, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanoic acid is sourced from PubChem (CID 134501433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).