(2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid

C6H13NO6 — CID 16758044

IUPAC(2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid
SMILESN[C@H](C(=O)O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2?,3-,4?,5?/m0/s1
InChIKeyUFYKDFXCZBTLOO-VYLCXHFUSA-N
MW195.17 g/mol
LogP-3.53
Rot. Bonds5

About (2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid

(2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid (PubChem CID 16758044) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is (2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid
PubChem CID16758044
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name(2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid
SMILESN[C@H](C(=O)O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2?,3-,4?,5?/m0/s1
InChIKeyUFYKDFXCZBTLOO-VYLCXHFUSA-N
XLogP-3.53
TPSA144.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500195.17
LogP ≤ 5-3.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid?
The IUPAC name of (2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid (CID 16758044) is (2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid.
What is the SMILES notation for (2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid?
The canonical SMILES for (2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid is N[C@H](C(=O)O)C(O)C(O)C(O)CO.
What is the InChIKey of (2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid?
The InChIKey is UFYKDFXCZBTLOO-VYLCXHFUSA-N. The full InChI is InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2?,3-,4?,5?/m0/s1.
What are the key properties of (2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid?
(2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid has a molecular weight of 195.17 g/mol, XLogP of -3.53, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,4,5,6-tetrahydroxyhexanoic acid is sourced from PubChem (CID 16758044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).