(2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

C25H30O11 — CID 162991210

IUPAC(2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
SMILESCOCc1c(O)c2c(c(C)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)O[C@@H](c1ccc(OC)cc1)CC2=O
InChIInChI=1S/C25H30O11/c1-11-23(36-25-22(31)21(30)20(29)17(9-26)35-25)14(10-32-2)19(28)18-15(27)8-16(34-24(11)18)12-4-6-13(33-3)7-5-12/h4-7,16-17,20-22,25-26,28-31H,8-10H2,1-3H3/t16-,17+,20+,21+,22+,25-/m1/s1
InChIKeyIKCBFHPONQNEIO-PBNJFRCTSA-N
MW506.50 g/mol
LogP0.74
Rot. Bonds7

About (2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

(2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one (PubChem CID 162991210) has the molecular formula C25H30O11 and a molecular weight of 506.50 g/mol. Its IUPAC name is (2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
PubChem CID162991210
Molecular FormulaC25H30O11
Molecular Weight506.50 g/mol
Exact Mass506.18
IUPAC Name(2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
SMILESCOCc1c(O)c2c(c(C)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)O[C@@H](c1ccc(OC)cc1)CC2=O
InChIInChI=1S/C25H30O11/c1-11-23(36-25-22(31)21(30)20(29)17(9-26)35-25)14(10-32-2)19(28)18-15(27)8-16(34-24(11)18)12-4-6-13(33-3)7-5-12/h4-7,16-17,20-22,25-26,28-31H,8-10H2,1-3H3/t16-,17+,20+,21+,22+,25-/m1/s1
InChIKeyIKCBFHPONQNEIO-PBNJFRCTSA-N
XLogP0.74
TPSA164.37 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.50
LogP ≤ 50.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze (2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one with MolForge

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Related Compounds

5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 14159526
(2S)-5-hydroxy-6,8-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
CID 71521564
(2R)-7-[(2R,3S,4R,5R,6S)-6-[[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 22297555
(2S)-5-hydroxy-2-(5-hydroxy-2-methoxyphenyl)-6,8-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 10601184
5-hydroxy-6,7-dimethoxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
CID 85135921
(3S)-6-hydroxy-3-(4-methoxyphenyl)-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
CID 162858174
(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 162829940
(2S)-5,7-dihydroxy-2-[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 10073779
7-methoxy-2-phenyl-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 67187397
(2S)-7-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162844356
2-(4-hydroxyphenyl)-5,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,3-dihydrochromen-4-one
CID 42607912
(2R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 163088179

Frequently Asked Questions

What is the IUPAC name of (2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one (CID 162991210) is (2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one is COCc1c(O)c2c(c(C)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)O[C@@H](c1ccc(OC)cc1)CC2=O.
What is the InChIKey of (2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one?
The InChIKey is IKCBFHPONQNEIO-PBNJFRCTSA-N. The full InChI is InChI=1S/C25H30O11/c1-11-23(36-25-22(31)21(30)20(29)17(9-26)35-25)14(10-32-2)19(28)18-15(27)8-16(34-24(11)18)12-4-6-13(33-3)7-5-12/h4-7,16-17,20-22,25-26,28-31H,8-10H2,1-3H3/t16-,17+,20+,21+,22+,25-/m1/s1.
What are the key properties of (2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one?
(2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one has a molecular weight of 506.50 g/mol, XLogP of 0.74, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-hydroxy-6-(methoxymethyl)-2-(4-methoxyphenyl)-8-methyl-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162991210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).