[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate

C14H20O7 — CID 102200464

IUPAC[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate
SMILESO=C(CCc1ccc(O)cc1)OC[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C14H20O7/c15-7-11(17)14(20)12(18)8-21-13(19)6-3-9-1-4-10(16)5-2-9/h1-2,4-5,11-12,14-18,20H,3,6-8H2/t11-,12-,14+/m1/s1
InChIKeyYZGHSDUGDSDBME-BZPMIXESSA-N
MW300.31 g/mol
LogP-1.06
Rot. Bonds8

About [(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate

[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate (PubChem CID 102200464) has the molecular formula C14H20O7 and a molecular weight of 300.31 g/mol. Its IUPAC name is [(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate
PubChem CID102200464
Molecular FormulaC14H20O7
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Name[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate
SMILESO=C(CCc1ccc(O)cc1)OC[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C14H20O7/c15-7-11(17)14(20)12(18)8-21-13(19)6-3-9-1-4-10(16)5-2-9/h1-2,4-5,11-12,14-18,20H,3,6-8H2/t11-,12-,14+/m1/s1
InChIKeyYZGHSDUGDSDBME-BZPMIXESSA-N
XLogP-1.06
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate
CID 102200460
2,3,4,5,6-pentahydroxyhexyl 3-(4-hydroxy-3,5-dimethylphenyl)propanoate
CID 155475982
[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] 2-phenylacetate
CID 67583386
5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid
CID 87196720
prop-2-ynyl 3-(4-hydroxyphenyl)propanoate
CID 137320597
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
1,3-dicarbamoyloxypropan-2-yl 3-(4-hydroxyphenyl)propanoate
CID 163573684
[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] octanoate
CID 22216382
2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
CID 58446609
(4R,5S,6R,7R)-2-deuterio-4,5,6,7,8-pentahydroxy-1-(4-hydroxyphenyl)octan-3-one
CID 141192723
2-hydroxyethyl 4-(4-hydroxyphenyl)butanoate
CID 139668760
diethyl 2-[3-(4-hydroxyphenyl)propanoyloxy]propanedioate
CID 14748412

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate?
The IUPAC name of [(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate (CID 102200464) is [(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for [(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for [(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate is O=C(CCc1ccc(O)cc1)OC[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of [(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate?
The InChIKey is YZGHSDUGDSDBME-BZPMIXESSA-N. The full InChI is InChI=1S/C14H20O7/c15-7-11(17)14(20)12(18)8-21-13(19)6-3-9-1-4-10(16)5-2-9/h1-2,4-5,11-12,14-18,20H,3,6-8H2/t11-,12-,14+/m1/s1.
What are the key properties of [(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate?
[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate has a molecular weight of 300.31 g/mol, XLogP of -1.06, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 102200464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).