methyl 2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-1H-tetracene-1-carboxylate

HCID 320663

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Basic information

CAS: 63252-08-4
Standard SMILES: CCC1(O)CC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChIKey: QQSSCTZKIZFPMB-UHFFFAOYSA-N
Molecular formula: C36H38O18
Average molar mass: 758.7 g/mol
Monoisotopic mass: 758.20581436

Names & identifiers

Preferred name: methyl 2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-1H-tetracene-1-carboxylate
IUPAC: methyl 2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-1H-tetracene-1-carboxylate

Names & synonyms

63252-08-4methyl 2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-1H-tetracene-1-carboxylateNSC269105DTXSID10313330NSC-269105Methyl 2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Database identifiers

CAS: 63252-08-4
PubChem CID: 320663
DTXSID: DTXSID10313330

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 265 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 18
Rotatable bonds: 14
Heavy atoms: 54
Formal charge: 0
Complexity: 1,500

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