7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one

C19H24O9 — CID 163021138

IUPAC7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one
SMILESCc1cc(O)c([C@H]2O[C@H](O)[C@H](O)[C@H](O)[C@@H]2CO)c2oc(C[C@H](C)O)cc(=O)c12
InChIInChI=1S/C19H24O9/c1-7-3-11(22)14(17-10(6-20)15(24)16(25)19(26)28-17)18-13(7)12(23)5-9(27-18)4-8(2)21/h3,5,8,10,15-17,19-22,24-26H,4,6H2,1-2H3/t8-,10-,15+,16+,17-,19-/m0/s1
InChIKeyRRMBWDPMKWCXKH-IBVYUHFBSA-N
MW396.39 g/mol
LogP-0.55
Rot. Bonds4

About 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one

7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one (PubChem CID 163021138) has the molecular formula C19H24O9 and a molecular weight of 396.39 g/mol. Its IUPAC name is 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one
PubChem CID163021138
Molecular FormulaC19H24O9
Molecular Weight396.39 g/mol
Exact Mass396.14
IUPAC Name7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one
SMILESCc1cc(O)c([C@H]2O[C@H](O)[C@H](O)[C@H](O)[C@@H]2CO)c2oc(C[C@H](C)O)cc(=O)c12
InChIInChI=1S/C19H24O9/c1-7-3-11(22)14(17-10(6-20)15(24)16(25)19(26)28-17)18-13(7)12(23)5-9(27-18)4-8(2)21/h3,5,8,10,15-17,19-22,24-26H,4,6H2,1-2H3/t8-,10-,15+,16+,17-,19-/m0/s1
InChIKeyRRMBWDPMKWCXKH-IBVYUHFBSA-N
XLogP-0.55
TPSA160.82 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.39
LogP ≤ 5-0.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one 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

7-hydroxy-2-(2-hydroxypropyl)-5-methyl-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one;7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 158622930
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 59758270
7,8-dihydroxy-2-[(2S)-2-hydroxypropyl]-5-methylchromen-4-one
CID 139591650
7-hydroxy-8-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-2-(2-oxopropyl)chromen-4-one
CID 163080658
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]-7-hydroxy-5-methyl-4-oxochromene-2-carboxylic acid
CID 101218692
2-[[4-carboxy-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]butanoyl]amino]pentanedioic acid
CID 88941806
2-[3-[4,5-dihydroxy-3-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-methoxyphenyl]-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 137333728
2-[2-[2-[2,4-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-oxoethyl]-6-hydroxy-4-methylphenyl]-7-hydroxy-5-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 74080136
2-[[5-amino-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]-5-oxopentanoyl]amino]pentanediamide;N-(1,5-diamino-1-oxohex-5-en-2-yl)-2-[1-[7-hydroxy-5-methyl-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]propan-2-ylideneamino]pentanediamide
CID 159154268
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-methylbutanoate
CID 162892583
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 163002298
[(2S,3R,4S,5S,6R)-2-[2-(1,2-dihydroxypropyl)-7-methoxy-5-methyl-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
CID 101249832

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one?
The IUPAC name of 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one (CID 163021138) is 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one?
The canonical SMILES for 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one is Cc1cc(O)c([C@H]2O[C@H](O)[C@H](O)[C@H](O)[C@@H]2CO)c2oc(C[C@H](C)O)cc(=O)c12.
What is the InChIKey of 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one?
The InChIKey is RRMBWDPMKWCXKH-IBVYUHFBSA-N. The full InChI is InChI=1S/C19H24O9/c1-7-3-11(22)14(17-10(6-20)15(24)16(25)19(26)28-17)18-13(7)12(23)5-9(27-18)4-8(2)21/h3,5,8,10,15-17,19-22,24-26H,4,6H2,1-2H3/t8-,10-,15+,16+,17-,19-/m0/s1.
What are the key properties of 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one?
7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one has a molecular weight of 396.39 g/mol, XLogP of -0.55, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methyl-8-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]chromen-4-one is sourced from PubChem (CID 163021138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).