(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol

C12H25NO4 — CID 54442310

IUPAC(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)C(O)C(O)CO
InChIInChI=1S/C12H25NO4/c13-9(6-8-4-2-1-3-5-8)11(16)12(17)10(15)7-14/h8-12,14-17H,1-7,13H2/t9-,10?,11+,12?/m0/s1
InChIKeyWOZMBJKNSYDXEK-UZEXVOJHSA-N
MW247.33 g/mol
LogP-0.64
Rot. Bonds6

About (4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol

(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol (PubChem CID 54442310) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is (4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
PubChem CID54442310
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)C(O)C(O)CO
InChIInChI=1S/C12H25NO4/c13-9(6-8-4-2-1-3-5-8)11(16)12(17)10(15)7-14/h8-12,14-17H,1-7,13H2/t9-,10?,11+,12?/m0/s1
InChIKeyWOZMBJKNSYDXEK-UZEXVOJHSA-N
XLogP-0.64
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(2S)-2-amino-1-cyclohexylheptane-3,4,5-triol
CID 67724480
2-amino-1-cyclohexyl-6-methylheptane-3,4,5-triol
CID 22154938
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;hydrochloride
CID 18643834
(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;dihydrochloride
CID 18643833
(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol
CID 58964071
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol
CID 57278444
(2R,3R,4R)-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54540635

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol?
The IUPAC name of (4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol (CID 54442310) is (4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol.
What is the SMILES notation for (4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol?
The canonical SMILES for (4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol is N[C@@H](CC1CCCCC1)[C@@H](O)C(O)C(O)CO.
What is the InChIKey of (4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol?
The InChIKey is WOZMBJKNSYDXEK-UZEXVOJHSA-N. The full InChI is InChI=1S/C12H25NO4/c13-9(6-8-4-2-1-3-5-8)11(16)12(17)10(15)7-14/h8-12,14-17H,1-7,13H2/t9-,10?,11+,12?/m0/s1.
What are the key properties of (4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol?
(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol has a molecular weight of 247.33 g/mol, XLogP of -0.64, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol is sourced from PubChem (CID 54442310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).