(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol

C11H23NO3 — CID 57086179

IUPAC(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)C(O)CO
InChIInChI=1S/C11H23NO3/c12-9(11(15)10(14)7-13)6-8-4-2-1-3-5-8/h8-11,13-15H,1-7,12H2/t9-,10?,11+/m0/s1
InChIKeyZXPPFUVEFWFPPZ-KHUXNXPUSA-N
MW217.31 g/mol
LogP-0.00
Rot. Bonds5

About (3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol

(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol (PubChem CID 57086179) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol.

Molecular Properties

Compound Name(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
PubChem CID57086179
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)C(O)CO
InChIInChI=1S/C11H23NO3/c12-9(11(15)10(14)7-13)6-8-4-2-1-3-5-8/h8-11,13-15H,1-7,12H2/t9-,10?,11+/m0/s1
InChIKeyZXPPFUVEFWFPPZ-KHUXNXPUSA-N
XLogP-0.00
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54442310
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(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)-2-amino-1-cyclohexylheptane-3,4,5-triol
CID 67724480
(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol
CID 58964071
2-amino-1-cyclohexyl-6-methylheptane-3,4,5-triol
CID 22154938
4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol
CID 70048103
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol
CID 57278444

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol?
The IUPAC name of (3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol (CID 57086179) is (3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol.
What is the SMILES notation for (3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol?
The canonical SMILES for (3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol is N[C@@H](CC1CCCCC1)[C@@H](O)C(O)CO.
What is the InChIKey of (3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol?
The InChIKey is ZXPPFUVEFWFPPZ-KHUXNXPUSA-N. The full InChI is InChI=1S/C11H23NO3/c12-9(11(15)10(14)7-13)6-8-4-2-1-3-5-8/h8-11,13-15H,1-7,12H2/t9-,10?,11+/m0/s1.
What are the key properties of (3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol?
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol has a molecular weight of 217.31 g/mol, XLogP of -0.00, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol is sourced from PubChem (CID 57086179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).