hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium

C15H14O8P+ — CID 102455034

IUPAChydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium
SMILESO=[P+](O)Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1O
InChIInChI=1S/C15H13O8P/c16-8-4-10(17)9-6-12(19)15(22-14(9)5-8)7-1-2-13(11(18)3-7)23-24(20)21/h1-5,12,15,19H,6H2,(H3-,16,17,18,20,21)/p+1/t12-,15+/m0/s1
InChIKeyXSOAYBMUQISFDW-SWLSCSKDSA-O
MW353.24 g/mol
LogP1.87
Rot. Bonds3

About hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium

hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium (PubChem CID 102455034) has the molecular formula C15H14O8P+ and a molecular weight of 353.24 g/mol. Its IUPAC name is hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium
PubChem CID102455034
Molecular FormulaC15H14O8P+
Molecular Weight353.24 g/mol
Exact Mass353.04
IUPAC Namehydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium
SMILESO=[P+](O)Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1O
InChIInChI=1S/C15H13O8P/c16-8-4-10(17)9-6-12(19)15(22-14(9)5-8)7-1-2-13(11(18)3-7)23-24(20)21/h1-5,12,15,19H,6H2,(H3-,16,17,18,20,21)/p+1/t12-,15+/m0/s1
InChIKeyXSOAYBMUQISFDW-SWLSCSKDSA-O
XLogP1.87
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl] acetate
CID 102421449
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 1203
benzene-1,3,5-triol;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 68742693
(2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 126500545
[2-methoxycarbonyloxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl] methyl carbonate
CID 86271617
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]oxane-2-carboxylic acid
CID 71511815
butanedioic acid;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 175541834
butanedioic acid;bis((2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol)
CID 175541831
[2-methoxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl] hydrogen sulfate
CID 71579211
[2-methoxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulfate
CID 71251657
actinium;(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 59086270
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(3,4,5-trihydroxybenzoyl) 3,4,5-trihydroxybenzoate
CID 146291079

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium?
The IUPAC name of hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium (CID 102455034) is hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium is O=[P+](O)Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1O.
What is the InChIKey of hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium?
The InChIKey is XSOAYBMUQISFDW-SWLSCSKDSA-O. The full InChI is InChI=1S/C15H13O8P/c16-8-4-10(17)9-6-12(19)15(22-14(9)5-8)7-1-2-13(11(18)3-7)23-24(20)21/h1-5,12,15,19H,6H2,(H3-,16,17,18,20,21)/p+1/t12-,15+/m0/s1.
What are the key properties of hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium?
hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium has a molecular weight of 353.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-oxophosphanium is sourced from PubChem (CID 102455034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).