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Basic information
- CAS
116907-26-7- Standard SMILES
CC1OC(OC2CC(O)(C(=O)COC(=O)c3ccccc3O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)CC(N)C1O- InChIKey
AJAHDRMPRTTZMX-UHFFFAOYSA-N- Molecular formula
- C33H31NO13
- Average molar mass
- 649.605 g/mol
- Monoisotopic mass
- 649.17954005
Names & identifiers
- Preferred name
- 2-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl 2-hydroxybenzoate
- IUPAC
- 2-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl 2-hydroxybenzoate
- English name
- 14-salicyloylcarubicin
- Molecular formula
- C33H31NO13
- Molecular weight
- 649.6
Names & synonyms
14-salicyloylcarubicinBenzoic acid, 2-hydroxy-, 2-[4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydro-6,11-dioxo-2-naphthacenyl]-2-oxoethyl ester, (2S-cis)- (9CI)
Database identifiers
- CAS
116907-26-7- PubChem CID
- 159554
- DTXSID
DTXSID30922206
Properties
Physicochemical properties
- Boiling point
- 877.6 · 877.6±65.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- 6.45 · 6.45±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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