azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid

C6H13NO8 — CID 90473080

IUPACazane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
SMILESN.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C6H10O8.H3N/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);1H3/t1-,2+,3+,4-;
InChIKeyJLIUVUHOBNCPMC-UEXKISHTSA-N
MW227.17 g/mol
LogP-3.24
Rot. Bonds5

About azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid

azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid (PubChem CID 90473080) has the molecular formula C6H13NO8 and a molecular weight of 227.17 g/mol. Its IUPAC name is azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid.

Molecular Properties

Compound Nameazane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
PubChem CID90473080
Molecular FormulaC6H13NO8
Molecular Weight227.17 g/mol
Exact Mass227.06
IUPAC Nameazane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
SMILESN.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C6H10O8.H3N/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);1H3/t1-,2+,3+,4-;
InChIKeyJLIUVUHOBNCPMC-UEXKISHTSA-N
XLogP-3.24
TPSA190.52 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.17
LogP ≤ 5-3.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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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
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
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
(2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 167483909
(2S,3S,4S,5R)-6-bromo-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 141336053
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874
azane;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 175905684

Frequently Asked Questions

What is the IUPAC name of azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid?
The IUPAC name of azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid (CID 90473080) is azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid.
What is the SMILES notation for azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid?
The canonical SMILES for azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid is N.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid?
The InChIKey is JLIUVUHOBNCPMC-UEXKISHTSA-N. The full InChI is InChI=1S/C6H10O8.H3N/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);1H3/t1-,2+,3+,4-;.
What are the key properties of azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid?
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid has a molecular weight of 227.17 g/mol, XLogP of -3.24, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid is sourced from PubChem (CID 90473080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).