(2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol

C22H26O6 — CID 10548197

IUPAC(2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol
SMILESCOC1c2ccccc2C(OC)c2c1ccc([C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1)c2O
InChIInChI=1S/C22H26O6/c1-11-19(24)16(23)10-17(28-11)14-8-9-15-18(20(14)25)22(27-3)13-7-5-4-6-12(13)21(15)26-2/h4-9,11,16-17,19,21-25H,10H2,1-3H3/t11-,16-,17-,19-,21?,22?/m1/s1
InChIKeyGFFKSIFIZCTWCL-VCKJDJGVSA-N
MW386.44 g/mol
LogP2.75
Rot. Bonds3

About (2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol

(2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol (PubChem CID 10548197) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is (2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol
PubChem CID10548197
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name(2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol
SMILESCOC1c2ccccc2C(OC)c2c1ccc([C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1)c2O
InChIInChI=1S/C22H26O6/c1-11-19(24)16(23)10-17(28-11)14-8-9-15-18(20(14)25)22(27-3)13-7-5-4-6-12(13)21(15)26-2/h4-9,11,16-17,19,21-25H,10H2,1-3H3/t11-,16-,17-,19-,21?,22?/m1/s1
InChIKeyGFFKSIFIZCTWCL-VCKJDJGVSA-N
XLogP2.75
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol (CID 10548197) is (2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol is COC1c2ccccc2C(OC)c2c1ccc([C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1)c2O.
What is the InChIKey of (2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol?
The InChIKey is GFFKSIFIZCTWCL-VCKJDJGVSA-N. The full InChI is InChI=1S/C22H26O6/c1-11-19(24)16(23)10-17(28-11)14-8-9-15-18(20(14)25)22(27-3)13-7-5-4-6-12(13)21(15)26-2/h4-9,11,16-17,19,21-25H,10H2,1-3H3/t11-,16-,17-,19-,21?,22?/m1/s1.
What are the key properties of (2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol?
(2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol has a molecular weight of 386.44 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-6-(1-hydroxy-9,10-dimethoxy-9,10-dihydroanthracen-2-yl)-2-methyloxane-3,4-diol is sourced from PubChem (CID 10548197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).