(2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

C6H11NO7 — CID 167483909

IUPAC(2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
SMILESNC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)O
InChIInChI=1S/C6H11NO7/c7-5(12)3(10)1(8)2(9)4(11)6(13)14/h1-4,8-11H,(H2,7,12)(H,13,14)/t1-,2+,3+,4+/m1/s1
InChIKeyOZRCMOFRVFRZQV-HTVIOJJOSA-N
MW209.15 g/mol
LogP-4.00
Rot. Bonds5

About (2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

(2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid (PubChem CID 167483909) has the molecular formula C6H11NO7 and a molecular weight of 209.15 g/mol. Its IUPAC name is (2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid.

Molecular Properties

Compound Name(2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
PubChem CID167483909
Molecular FormulaC6H11NO7
Molecular Weight209.15 g/mol
Exact Mass209.05
IUPAC Name(2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
SMILESNC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)O
InChIInChI=1S/C6H11NO7/c7-5(12)3(10)1(8)2(9)4(11)6(13)14/h1-4,8-11H,(H2,7,12)(H,13,14)/t1-,2+,3+,4+/m1/s1
InChIKeyOZRCMOFRVFRZQV-HTVIOJJOSA-N
XLogP-4.00
TPSA161.31 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.15
LogP ≤ 5-4.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175292865
sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362535
sodium;hydride;2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362537
sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175445177
(2S,3R,4S)-5-amino-2,3,4-trihydroxypentanoic acid
CID 135189043
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874
(2S,3S,4S,5R)-6-bromo-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 141336053
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
(2S)-2-amino-3,4-dihydroxypentanedioic acid
CID 22790188

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid?
The IUPAC name of (2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid (CID 167483909) is (2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid.
What is the SMILES notation for (2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid?
The canonical SMILES for (2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid is NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid?
The InChIKey is OZRCMOFRVFRZQV-HTVIOJJOSA-N. The full InChI is InChI=1S/C6H11NO7/c7-5(12)3(10)1(8)2(9)4(11)6(13)14/h1-4,8-11H,(H2,7,12)(H,13,14)/t1-,2+,3+,4+/m1/s1.
What are the key properties of (2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid?
(2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid has a molecular weight of 209.15 g/mol, XLogP of -4.00, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid is sourced from PubChem (CID 167483909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).