Basic information
- CAS
74273-37-3- Standard SMILES
COc1ccc(O)c2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)O)CC3OC1CC(NC=O)C(O)C(C)O1- InChIKey
MJZPYMZHBBNILO-CBBPKGEWSA-N- Molecular formula
- C28H31NO12
- Average molar mass
- 573.5 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- N-Formyl-1-hydroxy-13-dihydrodaunomycin
- IUPAC
- N-[3-hydroxy-2-methyl-6-[[3,5,7,12-tetrahydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]formamide
- English name
- N-formyl-1-hydroxy-13-dihydrodaunomycin
- Molecular formula
- C28H31NO12
- Molecular weight
- 573.55
Names & synonyms
N-FH-13-Dhd74273-37-3N-Formyl-1-hydroxy-13-dihydrodaunomycinRefChem:163389N-[3-hydroxy-2-methyl-6-[[3,5,7,12-tetrahydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]formamideDTXSID509957953,5,7,12-Tetrahydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(hydroxymethylidene)amino]hexopyranoside5,12-Naphthacenedione, 7,8,9,10-tetrahydro-1,6,9,11-tetrahydroxy-9-(1-hydroxyethyl)-4-methoxy-7-((2,3,6-trideoxy-3-(formylamino)-alpha-L-lyxo-hexopyranoxyl)oxy)-GP-IIN-FormylGP-IAntibiotic GP-II5,12-Naphthacenedione, 7,8,9,10-tetrahydro-1,6,9,11-tetrahydroxy-9-(1-hydroxyethyl)-4-methoxy-7-[[2,3,6-trideoxy-3-(formylamino)-α-L-lyxo-hexopyranosyl]oxy]- (9CI)
Show more names
(8S)-8-(1-Hydroxyethyl)-10α-[[2,3,6-trideoxy-3-(formylamino)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-4,6,8α,11-tetrahydroxy-1-methoxy-5,12-naphthacenedione
Database identifiers
- CAS
74273-37-3- PubChem CID
- 173271
- DTXSID
DTXSID50995795
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Boiling point
- 880.6 · 880.6±65.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 6.94 · 6.94±0.60(Predicted)
Chemistry & industry
Suppliers1 total
上海雅吉生物科技有限公司021-34661275 15301693058 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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