(2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid

C6H13NO7 — CID 163211863

IUPAC(2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid
SMILESN[C@](O)(C(=O)O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H13NO7/c7-6(14,5(12)13)4(11)3(10)2(9)1-8/h2-4,8-11,14H,1,7H2,(H,12,13)/t2-,3-,4-,6-/m1/s1
InChIKeySQXCNVUDTUUSNZ-ZGEUXELVSA-N
MW211.17 g/mol
LogP-4.21
Rot. Bonds5

About (2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid

(2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid (PubChem CID 163211863) has the molecular formula C6H13NO7 and a molecular weight of 211.17 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid
PubChem CID163211863
Molecular FormulaC6H13NO7
Molecular Weight211.17 g/mol
Exact Mass211.07
IUPAC Name(2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid
SMILESN[C@](O)(C(=O)O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H13NO7/c7-6(14,5(12)13)4(11)3(10)2(9)1-8/h2-4,8-11,14H,1,7H2,(H,12,13)/t2-,3-,4-,6-/m1/s1
InChIKeySQXCNVUDTUUSNZ-ZGEUXELVSA-N
XLogP-4.21
TPSA164.47 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.17
LogP ≤ 5-4.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid with MolForge

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Related Compounds

2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]propanedioic acid
CID 22856678
(2S)-2-amino-2,3,4,5,6-pentahydroxyhexanal
CID 135374199
(2R,3R,4S,5R)-2-acetamido-2,3,4,5,6-pentahydroxyhexanoic acid
CID 89051494
(5R,6S,7R)-4,4-diamino-5,6,7,8-tetrahydroxyoctane-2,3-dione
CID 87427473
(2R,3S,4R,5R)-2-amino-1-deuterio-2,3,4,5,6-pentahydroxyhexan-1-one
CID 175982160
2,3-dihydroxypropyl 2,3,4,5,6-pentahydroxy-2-methylhexanoate
CID 175213467
(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]tetracosanoic acid
CID 123720065
(3R,4S,5R,6R)-3-formyl-3,4,5,6,7-pentahydroxyheptanoic acid
CID 172715343
(2S,3R,4S,5R)-2-acetyl-2-amino-3,4,5,6-tetrahydroxyhexanal
CID 174573561
(3R,4S,5R,6R)-2-amino-2,3,4,5,6,7-hexahydroxyheptanal
CID 150619072
6-amino-5-methylhexane-1,2,3,4,5-pentol
CID 174511102
(2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide
CID 149252911

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid?
The IUPAC name of (2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid (CID 163211863) is (2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid.
What is the SMILES notation for (2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid?
The canonical SMILES for (2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid is N[C@](O)(C(=O)O)[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid?
The InChIKey is SQXCNVUDTUUSNZ-ZGEUXELVSA-N. The full InChI is InChI=1S/C6H13NO7/c7-6(14,5(12)13)4(11)3(10)2(9)1-8/h2-4,8-11,14H,1,7H2,(H,12,13)/t2-,3-,4-,6-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid?
(2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid has a molecular weight of 211.17 g/mol, XLogP of -4.21, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid is sourced from PubChem (CID 163211863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).