(2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H27NO10 — CID 162793294

IUPAC(2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESCOc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(O[C@@H]4O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]4O)c-2c31
InChIInChI=1S/C24H27NO10/c1-32-14-8-11-10(6-13(14)26)5-12-16-9(3-4-25-12)7-15(33-2)21(17(11)16)34-24-20(29)18(27)19(28)22(35-24)23(30)31/h6-8,12,18-20,22,24-29H,3-5H2,1-2H3,(H,30,31)/t12-,18+,19-,20-,22+,24+/m0/s1
InChIKeySEAZDPLSWCQFAU-JEJVRDQGSA-N
MW489.48 g/mol
LogP0.09
Rot. Bonds5

About (2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 162793294) has the molecular formula C24H27NO10 and a molecular weight of 489.48 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID162793294
Molecular FormulaC24H27NO10
Molecular Weight489.48 g/mol
Exact Mass489.16
IUPAC Name(2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESCOc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(O[C@@H]4O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]4O)c-2c31
InChIInChI=1S/C24H27NO10/c1-32-14-8-11-10(6-13(14)26)5-12-16-9(3-4-25-12)7-15(33-2)21(17(11)16)34-24-20(29)18(27)19(28)22(35-24)23(30)31/h6-8,12,18-20,22,24-29H,3-5H2,1-2H3,(H,30,31)/t12-,18+,19-,20-,22+,24+/m0/s1
InChIKeySEAZDPLSWCQFAU-JEJVRDQGSA-N
XLogP0.09
TPSA167.17 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.48
LogP ≤ 50.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

[(6aS)-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl] trifluoromethanesulfonate
CID 154049412
1,10-dimethoxy-2,9-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 11350028
3,4,5-trihydroxy-6-(8-hydroxy-6-methoxy-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
CID 163077718
(6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 101426476
9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
CID 175794329
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 5320211
3,4,5-trihydroxy-6-[[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid
CID 74430295
(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol;hydrobromide
CID 172885215
6-(3,4-dimethoxybenzoyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163073802
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 102270316
6-[3-(2,4-dihydroxy-5-methoxyphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 131834417
(3R,6R)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 135030653

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of (2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 162793294) is (2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OC)c(O[C@@H]4O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]4O)c-2c31.
What is the InChIKey of (2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is SEAZDPLSWCQFAU-JEJVRDQGSA-N. The full InChI is InChI=1S/C24H27NO10/c1-32-14-8-11-10(6-13(14)26)5-12-16-9(3-4-25-12)7-15(33-2)21(17(11)16)34-24-20(29)18(27)19(28)22(35-24)23(30)31/h6-8,12,18-20,22,24-29H,3-5H2,1-2H3,(H,30,31)/t12-,18+,19-,20-,22+,24+/m0/s1.
What are the key properties of (2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
(2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 489.48 g/mol, XLogP of 0.09, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 162793294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).