(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol

C30H26O12 — CID 162858835

IUPAC(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
SMILESOc1ccc([C@H]2Oc3c(cc(-c4cc5c(c(O)c4O)O[C@H](c4ccc(O)cc4)[C@H](O)[C@H]5O)c(O)c3O)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C30H26O12/c31-13-5-1-11(2-6-13)27-23(37)21(35)17-9-15(19(33)25(39)29(17)41-27)16-10-18-22(36)24(38)28(12-3-7-14(32)8-4-12)42-30(18)26(40)20(16)34/h1-10,21-24,27-28,31-40H/t21-,22+,23-,24-,27-,28-/m1/s1
InChIKeyOIDGTXPFGQJCKF-KRXZIQNWSA-N
MW578.53 g/mol
LogP2.64
Rot. Bonds3

About (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol

(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol (PubChem CID 162858835) has the molecular formula C30H26O12 and a molecular weight of 578.53 g/mol. Its IUPAC name is (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
PubChem CID162858835
Molecular FormulaC30H26O12
Molecular Weight578.53 g/mol
Exact Mass578.14
IUPAC Name(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
SMILESOc1ccc([C@H]2Oc3c(cc(-c4cc5c(c(O)c4O)O[C@H](c4ccc(O)cc4)[C@H](O)[C@H]5O)c(O)c3O)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C30H26O12/c31-13-5-1-11(2-6-13)27-23(37)21(35)17-9-15(19(33)25(39)29(17)41-27)16-10-18-22(36)24(38)28(12-3-7-14(32)8-4-12)42-30(18)26(40)20(16)34/h1-10,21-24,27-28,31-40H/t21-,22+,23-,24-,27-,28-/m1/s1
InChIKeyOIDGTXPFGQJCKF-KRXZIQNWSA-N
XLogP2.64
TPSA220.76 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500578.53
LogP ≤ 52.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol?
The IUPAC name of (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol (CID 162858835) is (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol.
What is the SMILES notation for (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol?
The canonical SMILES for (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol is Oc1ccc([C@H]2Oc3c(cc(-c4cc5c(c(O)c4O)O[C@H](c4ccc(O)cc4)[C@H](O)[C@H]5O)c(O)c3O)[C@@H](O)[C@H]2O)cc1.
What is the InChIKey of (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol?
The InChIKey is OIDGTXPFGQJCKF-KRXZIQNWSA-N. The full InChI is InChI=1S/C30H26O12/c31-13-5-1-11(2-6-13)27-23(37)21(35)17-9-15(19(33)25(39)29(17)41-27)16-10-18-22(36)24(38)28(12-3-7-14(32)8-4-12)42-30(18)26(40)20(16)34/h1-10,21-24,27-28,31-40H/t21-,22+,23-,24-,27-,28-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol?
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol has a molecular weight of 578.53 g/mol, XLogP of 2.64, 3 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol is sourced from PubChem (CID 162858835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).