[(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium

C6H14NO4+ — CID 57339265

IUPAC[(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium
SMILES[NH3+][C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/p+1/t2-,3+,4+,5-,6-/m0/s1
InChIKeyQXQNRSUOYNMXDL-KGJVWPDLSA-O
MW164.18 g/mol
LogP-3.56
Rot. Bonds

About [(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium

[(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium (PubChem CID 57339265) has the molecular formula C6H14NO4+ and a molecular weight of 164.18 g/mol. Its IUPAC name is [(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium.

Molecular Properties

Compound Name[(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium
PubChem CID57339265
Molecular FormulaC6H14NO4+
Molecular Weight164.18 g/mol
Exact Mass164.09
IUPAC Name[(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium
SMILES[NH3+][C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/p+1/t2-,3+,4+,5-,6-/m0/s1
InChIKeyQXQNRSUOYNMXDL-KGJVWPDLSA-O
XLogP-3.56
TPSA108.56 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-3.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium?
The IUPAC name of [(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium (CID 57339265) is [(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium.
What is the SMILES notation for [(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium?
The canonical SMILES for [(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium is [NH3+][C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium?
The InChIKey is QXQNRSUOYNMXDL-KGJVWPDLSA-O. The full InChI is InChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/p+1/t2-,3+,4+,5-,6-/m0/s1.
What are the key properties of [(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium?
[(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium has a molecular weight of 164.18 g/mol, XLogP of -3.56, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]azanium is sourced from PubChem (CID 57339265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).