[(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride

C6H14ClNO4 — CID 11264099

IUPAC[(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride
SMILES[Cl-].[NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)[C@@H]1O
InChIInChI=1S/C6H13NO4.ClH/c7-3-4(9)2(1-8)5(10)6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5+,6+;/m0./s1
InChIKeyBHXHHZVGWZHJNT-UIAMRETRSA-N
MW199.63 g/mol
LogP-6.69
Rot. Bonds1

About [(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride

[(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride (PubChem CID 11264099) has the molecular formula C6H14ClNO4 and a molecular weight of 199.63 g/mol. Its IUPAC name is [(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride.

Molecular Properties

Compound Name[(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride
PubChem CID11264099
Molecular FormulaC6H14ClNO4
Molecular Weight199.63 g/mol
Exact Mass199.06
IUPAC Name[(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride
SMILES[Cl-].[NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)[C@@H]1O
InChIInChI=1S/C6H13NO4.ClH/c7-3-4(9)2(1-8)5(10)6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5+,6+;/m0./s1
InChIKeyBHXHHZVGWZHJNT-UIAMRETRSA-N
XLogP-6.69
TPSA108.56 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.63
LogP ≤ 5-6.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S,3S,5R,6S,7R)-8-(hydroxymethyl)cyclooctane-1,2,3,4,5,6,7-heptol
CID 25258192
(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 25167508
[3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium trichloride
CID 21280589
[(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]azanium
CID 25246244
3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol
CID 123934706
[3,5-bis(azaniumyl)-2,4,6-trihydroxycyclohexyl]azanium
CID 21280594
(1R,2R,3S,4R,5R,6S)-5-(hydroxymethyl)-7-thiabicyclo[4.1.0]heptane-2,3,4-triol
CID 10261988
(1R,2S,3R,4S,4aR,5S,6R,7R,8S,8aR)-8-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2,3,4,5,6,7-heptol
CID 100995414
(1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 162423103
[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol
CID 131848681
[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 3258796
[(2R,3R,4R,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 7568489

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride?
The IUPAC name of [(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride (CID 11264099) is [(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride.
What is the SMILES notation for [(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride?
The canonical SMILES for [(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride is [Cl-].[NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)[C@@H]1O.
What is the InChIKey of [(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride?
The InChIKey is BHXHHZVGWZHJNT-UIAMRETRSA-N. The full InChI is InChI=1S/C6H13NO4.ClH/c7-3-4(9)2(1-8)5(10)6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5+,6+;/m0./s1.
What are the key properties of [(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride?
[(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride has a molecular weight of 199.63 g/mol, XLogP of -6.69, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,4S,5S)-2,3,5-trihydroxy-4-(hydroxymethyl)cyclopentyl]azanium chloride is sourced from PubChem (CID 11264099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).