(2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one

C18H16O6 — CID 139081756

IUPAC(2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one
SMILESCC1(C)c2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O[C@H]1CO
InChIInChI=1S/C18H16O6/c1-18(2)12(7-19)23-11-6-10(21)13-15(22)8-4-3-5-9(20)16(8)24-17(13)14(11)18/h3-6,12,19-21H,7H2,1-2H3/t12-/m0/s1
InChIKeyWUWFQFXQCQBPCA-LBPRGKRZSA-N
MW328.32 g/mol
LogP2.39
Rot. Bonds1

About (2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one

(2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one (PubChem CID 139081756) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is (2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one.

Molecular Properties

Compound Name(2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one
PubChem CID139081756
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name(2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one
SMILESCC1(C)c2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O[C@H]1CO
InChIInChI=1S/C18H16O6/c1-18(2)12(7-19)23-11-6-10(21)13-15(22)8-4-3-5-9(20)16(8)24-17(13)14(11)18/h3-6,12,19-21H,7H2,1-2H3/t12-/m0/s1
InChIKeyWUWFQFXQCQBPCA-LBPRGKRZSA-N
XLogP2.39
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 127043399
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CID 78319183
1,5-dihydroxy-3-methoxyxanthen-9-one
CID 5281651
(3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-6,11-dihydroxy-3-methylpyrano[2,3-c]xanthen-7-one
CID 163049542
1,2,5-trihydroxyxanthen-9-one
CID 10060362
5-hydroxy-10-methoxy-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 11163118
(3S,7S)-11-hydroxy-18-methoxy-6-methylidene-4,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14(19),15,17-hexaen-13-one
CID 11186777
3-[(E)-2-[(1R,2R)-1,4-dimethyl-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)cyclohex-3-en-1-yl]ethenyl]-1,4,5-trihydroxyxanthen-9-one
CID 162902804
2-(hydroxymethyl)-3,3-dimethyl-2H-1-benzofuran-5-ol
CID 15160990
5-hydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,14,20-heptaen-11-one
CID 5318636
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
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Frequently Asked Questions

What is the IUPAC name of (2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one?
The IUPAC name of (2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one (CID 139081756) is (2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one.
What is the SMILES notation for (2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one?
The canonical SMILES for (2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one is CC1(C)c2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O[C@H]1CO.
What is the InChIKey of (2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one?
The InChIKey is WUWFQFXQCQBPCA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16O6/c1-18(2)12(7-19)23-11-6-10(21)13-15(22)8-4-3-5-9(20)16(8)24-17(13)14(11)18/h3-6,12,19-21H,7H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one?
(2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one has a molecular weight of 328.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,10-dihydroxy-2-(hydroxymethyl)-1,1-dimethyl-2H-furo[2,3-c]xanthen-6-one is sourced from PubChem (CID 139081756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).