(5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid

C10H19NO7 — CID 121291182

IUPAC(5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid
SMILESCC[C@@H](O)[C@@H](O)C1OC(O)(C(=O)O)CC(O)[C@H]1N
InChIInChI=1S/C10H19NO7/c1-2-4(12)7(14)8-6(11)5(13)3-10(17,18-8)9(15)16/h4-8,12-14,17H,2-3,11H2,1H3,(H,15,16)/t4-,5?,6-,7-,8?,10?/m1/s1
InChIKeyKCWGKZXSMFPTDN-KFJFQIRGSA-N
MW265.26 g/mol
LogP-2.63
Rot. Bonds4

About (5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid

(5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid (PubChem CID 121291182) has the molecular formula C10H19NO7 and a molecular weight of 265.26 g/mol. Its IUPAC name is (5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid
PubChem CID121291182
Molecular FormulaC10H19NO7
Molecular Weight265.26 g/mol
Exact Mass265.12
IUPAC Name(5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid
SMILESCC[C@@H](O)[C@@H](O)C1OC(O)(C(=O)O)CC(O)[C@H]1N
InChIInChI=1S/C10H19NO7/c1-2-4(12)7(14)8-6(11)5(13)3-10(17,18-8)9(15)16/h4-8,12-14,17H,2-3,11H2,1H3,(H,15,16)/t4-,5?,6-,7-,8?,10?/m1/s1
InChIKeyKCWGKZXSMFPTDN-KFJFQIRGSA-N
XLogP-2.63
TPSA153.47 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.26
LogP ≤ 5-2.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

(5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 121291183
(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 59331138
(4S,5R,6R)-5-amino-6-(1,3-dihydroxy-2-methoxypropyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 174240920
(4S,5R,6R)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;(4S,5R,6R)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 174495811
methyl 5-amino-6-(1,2-dihydroxybutyl)-4-hydroxy-2-methoxyoxane-2-carboxylate
CID 20695384
(2S,4S,5R,6R)-6-[(1R,2R)-1-acetamido-2-hydroxypropyl]-5-amino-2,4-dihydroxyoxane-2-carboxylic acid
CID 91862440
5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 58860466
(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932
(5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 122374560
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl](313C)oxane-2-carboxylic acid
CID 102405722
(2S,4R,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 42553514
(2S,4S,5R,6R)-5-(acetyl(15N)amino)-2,4-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 169432696

Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid?
The IUPAC name of (5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid (CID 121291182) is (5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid is CC[C@@H](O)[C@@H](O)C1OC(O)(C(=O)O)CC(O)[C@H]1N.
What is the InChIKey of (5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid?
The InChIKey is KCWGKZXSMFPTDN-KFJFQIRGSA-N. The full InChI is InChI=1S/C10H19NO7/c1-2-4(12)7(14)8-6(11)5(13)3-10(17,18-8)9(15)16/h4-8,12-14,17H,2-3,11H2,1H3,(H,15,16)/t4-,5?,6-,7-,8?,10?/m1/s1.
What are the key properties of (5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid?
(5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of -2.63, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 121291182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).