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

C15H16O8 — CID 88741644

IUPAC7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H16O8/c16-5-10-11(18)12(19)13(20)14(22-10)8-3-6-1-2-7(17)4-9(6)23-15(8)21/h1-4,10-14,16-20H,5H2/t10-,11+,12+,13-,14-/m1/s1
InChIKeyYWMYLDKUXNQURC-MBJXGIAVSA-N
MW324.29 g/mol
LogP-0.99
Rot. Bonds2

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

7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one (PubChem CID 88741644) has the molecular formula C15H16O8 and a molecular weight of 324.29 g/mol. Its IUPAC name is 7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one
PubChem CID88741644
Molecular FormulaC15H16O8
Molecular Weight324.29 g/mol
Exact Mass324.08
IUPAC Name7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H16O8/c16-5-10-11(18)12(19)13(20)14(22-10)8-3-6-1-2-7(17)4-9(6)23-15(8)21/h1-4,10-14,16-20H,5H2/t10-,11+,12+,13-,14-/m1/s1
InChIKeyYWMYLDKUXNQURC-MBJXGIAVSA-N
XLogP-0.99
TPSA140.59 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 90658607
7-phenylmethoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one
CID 102017102
9-methoxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]chromen-7-one
CID 87896637
7-hydroxy-3-[4-[4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]triazol-1-yl]chromen-2-one
CID 162409208
(2R,3S,4R,5S)-2-(hydroxymethyl)-6-(3-hydroxyphenyl)oxane-3,4,5-triol
CID 71731174
3-cyclopropyl-7-[[(4S,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]chromen-2-one
CID 129087941
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione
CID 123158942
4-[[2-oxo-7-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromene-3-carbonyl]amino]benzoic acid
CID 88740330
3-methyl-7-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 18604813
(2S,3R,4R,5S,6R)-2-[6-hydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10476201
7-hydroxy-6-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 7064536
6,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 74336038

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one?
The IUPAC name of 7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one (CID 88741644) is 7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one?
The canonical SMILES for 7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one is O=c1oc2cc(O)ccc2cc1[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one?
The InChIKey is YWMYLDKUXNQURC-MBJXGIAVSA-N. The full InChI is InChI=1S/C15H16O8/c16-5-10-11(18)12(19)13(20)14(22-10)8-3-6-1-2-7(17)4-9(6)23-15(8)21/h1-4,10-14,16-20H,5H2/t10-,11+,12+,13-,14-/m1/s1.
What are the key properties of 7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one?
7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one has a molecular weight of 324.29 g/mol, XLogP of -0.99, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one is sourced from PubChem (CID 88741644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).