[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium

C6H14NO5+ — CID 25246244

IUPAC[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium
SMILES[NH3+]C1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H,7H2/p+1/t1?,2-,3+,4+,5-,6?
InChIKeyJXAOTICXQLILTC-UYSNGIAKSA-O
MW180.18 g/mol
LogP-4.59
Rot. Bonds

About [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium

[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium (PubChem CID 25246244) has the molecular formula C6H14NO5+ and a molecular weight of 180.18 g/mol. Its IUPAC name is [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium.

Molecular Properties

Compound Name[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium
PubChem CID25246244
Molecular FormulaC6H14NO5+
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium
SMILES[NH3+]C1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H,7H2/p+1/t1?,2-,3+,4+,5-,6?
InChIKeyJXAOTICXQLILTC-UYSNGIAKSA-O
XLogP-4.59
TPSA128.79 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500180.18
LogP ≤ 5-4.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium with MolForge

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Related Compounds

[3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium
CID 21280594
[3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride
CID 21280589
[(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride
CID 11264099
[(1S,2R,3R,4S)-2-azaniumyl-3,4-dihydroxycyclopentyl]azanium
CID 23250057
[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 3258796
[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 45266741
[(2R,3R,4R,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 7568489
(5-amino-2,3,4-trihydroxycyclohexyl)azanium
CID 5193005
(5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol
CID 159037991
(1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol
CID 73352744
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
[(2R,5R)-2,5-dihydroxycyclopentyl]azanium chloride
CID 11768777

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium?
The IUPAC name of [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium (CID 25246244) is [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium.
What is the SMILES notation for [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium?
The canonical SMILES for [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium is [NH3+]C1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O.
What is the InChIKey of [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium?
The InChIKey is JXAOTICXQLILTC-UYSNGIAKSA-O. The full InChI is InChI=1S/C6H13NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H,7H2/p+1/t1?,2-,3+,4+,5-,6?.
What are the key properties of [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium?
[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium has a molecular weight of 180.18 g/mol, XLogP of -4.59, 0 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium is sourced from PubChem (CID 25246244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).