(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

C9H17NO8 — CID 59331138

IUPAC(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
SMILESN[C@@H]1C(O)CC(O)(C(=O)O)O[C@@H]1C(O)C(O)CO
InChIInChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3?,4?,5-,6?,7+,9?/m1/s1
InChIKeyCERZMXAJYMMUDR-JIRIIBHYSA-N
MW267.23 g/mol
LogP-4.05
Rot. Bonds4

About (5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid (PubChem CID 59331138) has the molecular formula C9H17NO8 and a molecular weight of 267.23 g/mol. Its IUPAC name is (5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid.

Molecular Properties

Compound Name(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
PubChem CID59331138
Molecular FormulaC9H17NO8
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC Name(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
SMILESN[C@@H]1C(O)CC(O)(C(=O)O)O[C@@H]1C(O)C(O)CO
InChIInChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3?,4?,5-,6?,7+,9?/m1/s1
InChIKeyCERZMXAJYMMUDR-JIRIIBHYSA-N
XLogP-4.05
TPSA173.70 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.23
LogP ≤ 5-4.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Related Compounds

(5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 121291183
(5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 121291182
(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
(4S,5R,6R)-5-amino-6-(1,3-dihydroxy-2-methoxypropyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 174240920
(4S,5R,6R)-2,4-dihydroxy-5-(hydroxyamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 140975112
(4S,5S,6R)-5-amino-2-hydroxy-4-sulfooxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 169322100
(4S,5S,6R)-5-amino-2-hydroxy-4-sulfooxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 170312989
prop-2-enoyl (2S,4S,5R,6R)-5-amino-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 25175013
(4S,5R,6R)-5-amino-4-hydroxy-2-(2-hydroxyacetyl)oxy-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 174692764
(4S,5R,6R)-5-(2-aminoethylamino)-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 174500993
(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932
(2S,4R,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 42553514

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The IUPAC name of (5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid (CID 59331138) is (5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid.
What is the SMILES notation for (5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The canonical SMILES for (5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid is N[C@@H]1C(O)CC(O)(C(=O)O)O[C@@H]1C(O)C(O)CO.
What is the InChIKey of (5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The InChIKey is CERZMXAJYMMUDR-JIRIIBHYSA-N. The full InChI is InChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3?,4?,5-,6?,7+,9?/m1/s1.
What are the key properties of (5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid has a molecular weight of 267.23 g/mol, XLogP of -4.05, 4 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid is sourced from PubChem (CID 59331138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).