sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

C6H14NNaO7 — CID 87659891

IUPACsodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SMILESN.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+]
InChIInChI=1S/C6H12O7.H3N.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2-5,7-11H,1H2,(H,12,13);1H3;/q;;+1/p-1/t2-,3-,4+,5-;;/m1../s1
InChIKeyPMPXYGRBWAJIPS-ZBHRUSISSA-M
MW235.17 g/mol
LogP-7.66
Rot. Bonds5

About sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate (PubChem CID 87659891) has the molecular formula C6H14NNaO7 and a molecular weight of 235.17 g/mol. Its IUPAC name is sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate.

Molecular Properties

Compound Namesodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
PubChem CID87659891
Molecular FormulaC6H14NNaO7
Molecular Weight235.17 g/mol
Exact Mass235.07
IUPAC Namesodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
SMILESN.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+]
InChIInChI=1S/C6H12O7.H3N.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2-5,7-11H,1H2,(H,12,13);1H3;/q;;+1/p-1/t2-,3-,4+,5-;;/m1../s1
InChIKeyPMPXYGRBWAJIPS-ZBHRUSISSA-M
XLogP-7.66
TPSA176.28 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.17
LogP ≤ 5-7.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate with MolForge

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Related Compounds

disodium;2,3,4,5,6-pentahydroxyhexanoate;hydroxide
CID 174988802
sodium;iron(3+);tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 56841898
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
sodium;(2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahydroxyheptanoate;dihydrate
CID 135392401
dimagnesium;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 162352604
strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 23618905
CID 23618074
CID 23618074
azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 71587380
CID 171700327
CID 171700327
indium(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 24815492
dizinc;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 175791936
potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 16760467

Frequently Asked Questions

What is the IUPAC name of sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The IUPAC name of sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate (CID 87659891) is sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate.
What is the SMILES notation for sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The canonical SMILES for sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate is N.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].
What is the InChIKey of sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
The InChIKey is PMPXYGRBWAJIPS-ZBHRUSISSA-M. The full InChI is InChI=1S/C6H12O7.H3N.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2-5,7-11H,1H2,(H,12,13);1H3;/q;;+1/p-1/t2-,3-,4+,5-;;/m1../s1.
What are the key properties of sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate?
sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate has a molecular weight of 235.17 g/mol, XLogP of -7.66, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate is sourced from PubChem (CID 87659891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).