azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate

C7H17NO8 — CID 71587380

IUPACazanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
SMILESO=C([O-])[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[NH4+]
InChIInChI=1S/C7H14O8.H3N/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);1H3/t2-,3-,4+,5-,6-;/m1./s1
InChIKeyLJQUAJOUFUSZES-WYRLRVFGSA-N
MW243.21 g/mol
LogP-5.09
Rot. Bonds6

About azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate

azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate (PubChem CID 71587380) has the molecular formula C7H17NO8 and a molecular weight of 243.21 g/mol. Its IUPAC name is azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate.

Molecular Properties

Compound Nameazanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
PubChem CID71587380
Molecular FormulaC7H17NO8
Molecular Weight243.21 g/mol
Exact Mass243.10
IUPAC Nameazanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
SMILESO=C([O-])[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[NH4+]
InChIInChI=1S/C7H14O8.H3N/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);1H3/t2-,3-,4+,5-,6-;/m1./s1
InChIKeyLJQUAJOUFUSZES-WYRLRVFGSA-N
XLogP-5.09
TPSA198.01 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.21
LogP ≤ 5-5.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate with MolForge

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Related Compounds

calcium bis((2S,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
CID 21118492
dicalcium bis((3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
CID 134814460
calcium (3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 171361211
magnesium bis((2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoate)
CID 21118505
calcium bis((2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate)
CID 28327
(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
aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 21124159
CID 171700327
CID 171700327
CID 23618074
CID 23618074

Frequently Asked Questions

What is the IUPAC name of azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate?
The IUPAC name of azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate (CID 71587380) is azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate.
What is the SMILES notation for azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate?
The canonical SMILES for azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate is O=C([O-])[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[NH4+].
What is the InChIKey of azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate?
The InChIKey is LJQUAJOUFUSZES-WYRLRVFGSA-N. The full InChI is InChI=1S/C7H14O8.H3N/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);1H3/t2-,3-,4+,5-,6-;/m1./s1.
What are the key properties of azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate?
azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate has a molecular weight of 243.21 g/mol, XLogP of -5.09, 6 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate is sourced from PubChem (CID 71587380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).