(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol

C15H14O8 — CID 171148392

IUPAC(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol
SMILESOc1cc(O)c2c(c1)O[C@](O)(c1cc(O)c(O)c(O)c1)[C@H](O)C2
InChIInChI=1S/C15H14O8/c16-7-3-9(17)8-5-13(20)15(22,23-12(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,13,16-22H,5H2/t13-,15-/m1/s1
InChIKeyWQHRFQFSAXMMQJ-UKRRQHHQSA-N
MW322.27 g/mol
LogP0.36
Rot. Bonds1

About (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol

(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol (PubChem CID 171148392) has the molecular formula C15H14O8 and a molecular weight of 322.27 g/mol. Its IUPAC name is (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol.

Molecular Properties

Compound Name(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol
PubChem CID171148392
Molecular FormulaC15H14O8
Molecular Weight322.27 g/mol
Exact Mass322.07
IUPAC Name(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol
SMILESOc1cc(O)c2c(c1)O[C@](O)(c1cc(O)c(O)c(O)c1)[C@H](O)C2
InChIInChI=1S/C15H14O8/c16-7-3-9(17)8-5-13(20)15(22,23-12(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,13,16-22H,5H2/t13-,15-/m1/s1
InChIKeyWQHRFQFSAXMMQJ-UKRRQHHQSA-N
XLogP0.36
TPSA150.84 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.27
LogP ≤ 50.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3,4-dihydroxyphenyl)-4H-chromene-2,3,3,5,7-pentol;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol;(2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 159372603
(3S)-2-ethyl-2-propan-2-yl-3,4-dihydrochromene-3,5,7-triol
CID 155020433
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydrochromene-2-carbaldehyde
CID 91468798
2-(3,4-dihydroxyphenyl)-2-(2-hydroxyethoxy)-3,4-dihydrochromene-3,5,7-triol
CID 54127670
actinium;(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 59086270
2-(3,4-dihydroxyphenyl)-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydrochromene-3,5,7-triol
CID 68909708
1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydrochromen-2-yl]pentadecan-1-one
CID 91510891
1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydrochromen-2-yl]octan-1-one
CID 22071210
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydrochromen-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
CID 11734547
5,13-bis(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
CID 14521015
(1R,5R,6S,13S,21R)-5,13-bis(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
CID 162946301
(1S,5R,6S,13R,21S)-5-(3,4-dihydroxyphenyl)-13-(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
CID 53349182

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol?
The IUPAC name of (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol (CID 171148392) is (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol.
What is the SMILES notation for (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol?
The canonical SMILES for (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol is Oc1cc(O)c2c(c1)O[C@](O)(c1cc(O)c(O)c(O)c1)[C@H](O)C2.
What is the InChIKey of (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol?
The InChIKey is WQHRFQFSAXMMQJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H14O8/c16-7-3-9(17)8-5-13(20)15(22,23-12(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,13,16-22H,5H2/t13-,15-/m1/s1.
What are the key properties of (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol?
(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol has a molecular weight of 322.27 g/mol, XLogP of 0.36, 1 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-2,3,5,7-tetrol is sourced from PubChem (CID 171148392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).