(2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one

C18H14O6 — CID 162883275

IUPAC(2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one
SMILESO=c1c2c(O)cccc2oc2ccc3c(c12)C[C@@H]([C@]1(CO)CO1)O3
InChIInChI=1S/C18H14O6/c19-7-18(8-22-18)14-6-9-11(24-14)4-5-13-15(9)17(21)16-10(20)2-1-3-12(16)23-13/h1-5,14,19-20H,6-8H2/t14-,18-/m0/s1
InChIKeyLWMFXNWNAFUDRZ-KSSFIOAISA-N
MW326.30 g/mol
LogP1.72
Rot. Bonds2

About (2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one

(2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one (PubChem CID 162883275) has the molecular formula C18H14O6 and a molecular weight of 326.30 g/mol. Its IUPAC name is (2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one.

Molecular Properties

Compound Name(2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one
PubChem CID162883275
Molecular FormulaC18H14O6
Molecular Weight326.30 g/mol
Exact Mass326.08
IUPAC Name(2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one
SMILESO=c1c2c(O)cccc2oc2ccc3c(c12)C[C@@H]([C@]1(CO)CO1)O3
InChIInChI=1S/C18H14O6/c19-7-18(8-22-18)14-6-9-11(24-14)4-5-13-15(9)17(21)16-10(20)2-1-3-12(16)23-13/h1-5,14,19-20H,6-8H2/t14-,18-/m0/s1
InChIKeyLWMFXNWNAFUDRZ-KSSFIOAISA-N
XLogP1.72
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1,2-dihydrofuro[3,2-a]xanthen-11-one
CID 24854051
3-ethyl-1,8-dihydroxyxanthen-9-one
CID 164763934
(4S)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
CID 46842221
2,8-dihydroxy-1-(1-hydroxy-3-methylbut-2-enyl)xanthen-9-one
CID 143778281
2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
CID 163064083
(4R,8R)-2,18-dihydroxy-4-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
CID 66575592
5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one
CID 163153591
11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-one
CID 5486528
1-hydroxy-6-methylxanthen-9-one
CID 13031893
1,8-dihydroxy-4-nitroxanthen-9-one
CID 5326637
4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 14494068
1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 5383016

Frequently Asked Questions

What is the IUPAC name of (2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one?
The IUPAC name of (2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one (CID 162883275) is (2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one.
What is the SMILES notation for (2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one?
The canonical SMILES for (2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one is O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@@H]([C@]1(CO)CO1)O3.
What is the InChIKey of (2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one?
The InChIKey is LWMFXNWNAFUDRZ-KSSFIOAISA-N. The full InChI is InChI=1S/C18H14O6/c19-7-18(8-22-18)14-6-9-11(24-14)4-5-13-15(9)17(21)16-10(20)2-1-3-12(16)23-13/h1-5,14,19-20H,6-8H2/t14-,18-/m0/s1.
What are the key properties of (2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one?
(2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one has a molecular weight of 326.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-10-hydroxy-2-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-1,2-dihydrofuro[3,2-a]xanthen-11-one is sourced from PubChem (CID 162883275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).