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

C17H16O10 — CID 72957929

IUPAC5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one
SMILESO=c1ccc2c(O)c(OC3OC(CO)C(O)C(O)C3O)c3occc3c2o1
InChIInChI=1S/C17H16O10/c18-5-8-11(21)12(22)13(23)17(25-8)27-16-10(20)6-1-2-9(19)26-14(6)7-3-4-24-15(7)16/h1-4,8,11-13,17-18,20-23H,5H2
InChIKeyJIKXNZQDUGFOAA-UHFFFAOYSA-N
MW380.31 g/mol
LogP-0.58
Rot. Bonds3

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

5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one (PubChem CID 72957929) has the molecular formula C17H16O10 and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one
PubChem CID72957929
Molecular FormulaC17H16O10
Molecular Weight380.31 g/mol
Exact Mass380.07
IUPAC Name5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one
SMILESO=c1ccc2c(O)c(OC3OC(CO)C(O)C(O)C3O)c3occc3c2o1
InChIInChI=1S/C17H16O10/c18-5-8-11(21)12(22)13(23)17(25-8)27-16-10(20)6-1-2-9(19)26-14(6)7-3-4-24-15(7)16/h1-4,8,11-13,17-18,20-23H,5H2
InChIKeyJIKXNZQDUGFOAA-UHFFFAOYSA-N
XLogP-0.58
TPSA162.96 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-h]chromen-8-one
CID 162944970
5-hydroxy-6,8-dimethoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 162902204
7,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-2-one
CID 15101829
8-hydroxy-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 162900632
6-hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 124905173
6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 5318566
5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
CID 162848184
7-hydroxy-6-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CID 7064536
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 46928161
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 46928319
7-hydroxy-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;hydrate
CID 24747692
bis(7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);trihydrate
CID 131675424

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one?
The IUPAC name of 5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one (CID 72957929) is 5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one?
The canonical SMILES for 5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one is O=c1ccc2c(O)c(OC3OC(CO)C(O)C(O)C3O)c3occc3c2o1.
What is the InChIKey of 5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one?
The InChIKey is JIKXNZQDUGFOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O10/c18-5-8-11(21)12(22)13(23)17(25-8)27-16-10(20)6-1-2-9(19)26-14(6)7-3-4-24-15(7)16/h1-4,8,11-13,17-18,20-23H,5H2.
What are the key properties of 5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one?
5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one has a molecular weight of 380.31 g/mol, XLogP of -0.58, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 72957929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).