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Methyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

HCID 174252
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Basic information

CAS
82002-76-4
Standard SMILES
COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)CC1(C)O)C(=O)c1c(O)cccc1C3=O
InChIKey
QJXJRECTYIMQFD-UHFFFAOYSA-N
Molecular formula
C29H33NO10
Average molar mass
555.6 g/mol
Monoisotopic mass
555.21044625

Names & identifiers

Preferred name
Methyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
IUPAC
methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
English name
auramycin D
Molecular formula
C29H33NO10
Molecular weight
555.577

Names & synonyms

DTXSID701002373Methyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateMethyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateRefChem:1089281DTXCID201429308methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-methyl-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-QJXJRECTYIMQFD-UHFFFAOYSA-Nauramycin D[1R,(+)]-1,2,3,4,6,11-Hexahydro-2α,5,7-trihydroxy-2-methyl-6,11-dioxo-4α-[[3-(dimethylamino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-1β-naphthacenecarboxylic acid methyl ester1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S)- (9CI)

Database identifiers

CAS
82002-76-4
PubChem CID
174252
DTXSID
DTXSID701002373

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
163 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
11
Rotatable bonds
5
Heavy atoms
40
Formal charge
0
Complexity
1,010

Physicochemical properties

Boiling point
709.3 · 709.3±60.0 °C(Predicted)
Density
1.47 · 1.47±0.1 g/cm3(Predicted)
pka
6.41 · 6.41±0.70(Predicted)

Related reactions

5 records
New reaction record
HRID 435456 reaction equation
HRID 435456As productuspto-grants-1983_08
HRID 435457 reaction equation
HRID 435457As productuspto-grants-1983_08
HRID 435458 reaction equation
HRID 435458As productuspto-grants-1983_08
HRID 435459 reaction equation
HRID 435459As productuspto-grants-1983_08
HRID 435460 reaction equation
HRID 435460As productuspto-grants-1983_08

Compound notes

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