(1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol

C19H30O4 — CID 143063579

IUPAC(1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol
SMILESCC(O)C[C@@H]1C(CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C19H30O4/c1-13(20)11-17-16(18(22)12-19(17)23)10-9-15(21)8-7-14-5-3-2-4-6-14/h2-6,13,15-23H,7-12H2,1H3/t13?,15-,16?,17+,18+,19-/m0/s1
InChIKeyWLQJOYDTXHXYAQ-RAKIERKPSA-N
MW322.44 g/mol
LogP1.89
Rot. Bonds8

About (1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol

(1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol (PubChem CID 143063579) has the molecular formula C19H30O4 and a molecular weight of 322.44 g/mol. Its IUPAC name is (1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol.

Molecular Properties

Compound Name(1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol
PubChem CID143063579
Molecular FormulaC19H30O4
Molecular Weight322.44 g/mol
Exact Mass322.21
IUPAC Name(1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol
SMILESCC(O)C[C@@H]1C(CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C19H30O4/c1-13(20)11-17-16(18(22)12-19(17)23)10-9-15(21)8-7-14-5-3-2-4-6-14/h2-6,13,15-23H,7-12H2,1H3/t13?,15-,16?,17+,18+,19-/m0/s1
InChIKeyWLQJOYDTXHXYAQ-RAKIERKPSA-N
XLogP1.89
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol?
The IUPAC name of (1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol (CID 143063579) is (1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol.
What is the SMILES notation for (1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol?
The canonical SMILES for (1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol is CC(O)C[C@@H]1C(CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O.
What is the InChIKey of (1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol?
The InChIKey is WLQJOYDTXHXYAQ-RAKIERKPSA-N. The full InChI is InChI=1S/C19H30O4/c1-13(20)11-17-16(18(22)12-19(17)23)10-9-15(21)8-7-14-5-3-2-4-6-14/h2-6,13,15-23H,7-12H2,1H3/t13?,15-,16?,17+,18+,19-/m0/s1.
What are the key properties of (1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol?
(1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol has a molecular weight of 322.44 g/mol, XLogP of 1.89, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol is sourced from PubChem (CID 143063579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).