Basic information
- CAS
72660-52-7- Standard SMILES
C[C@@H]1O[C@@H](CC(=O)O)C[C@@]23O[C@@]12C(=O)c1c(O)cccc1C3=O- InChIKey
SVGOJJZXRJJDLY-IUFZWFJJSA-N- Molecular formula
- C16H14O7
- Average molar mass
- 318.28 g/mol
- Monoisotopic mass
- 318.07395278
Overview
Nanaomycin E is an organic heterotricyclic compound and an organooxygen compound.
Names & identifiers
- Preferred name
- Nanaomycin E
- IUPAC
- 2-[(1R,10S,11S,13R)-7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-13-yl]acetic acid
- English name
- Nanaomycin E
- Molecular formula
- C16H14O7
- Molecular weight
- 318.28
Names & synonyms
Nanaomycin E72660-52-7DTXSID502229774a,10a-Epoxy-1H-naphtho(2,3-c)pyran-3-acetic acid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, (1S-(1alpha,3beta,4abeta,10abeta))-2-[(1R,10S,11S,13R)-7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-13-yl]acetic acid2-((1R,10S,11S,13R)-7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo(8.4.1.01,10.03,8)pentadeca-3(8),4,6-trien-13-yl)acetic acidRefChem:164509DTXCID80145468CHEBI:198596SVGOJJZXRJJDLY-IUFZWFJJSA-NHY-N148264a,10a-Epoxy-1H-naphtho(2,3-c)pyran-3-acetic acid, 3,4,5,10-tetrahydro-5,10-dioxo-9-hydroxy-1-methyl-, (1S-(1-alpha,3-beta,4a-beta,10a-beta))-
Show more names
(1S)-3,4,5,10-Tetrahydro-9-hydroxy-1α-methyl-5,10-dioxo-4aβ,10aβ-epoxy-1H-naphtho[2,3-c]pyran-3β-acetic acid4a,10a-Epoxy-1H-naphtho[2,3-c]pyran-3-aceticacid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-, (1S,3R,4aR,10aS)-(9CI)
[(1S,3R,4aR,10aS)-9-Hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-4a,10a-epoxynaphtho[2,3-c]pyran-3-yl]acetic acid
Database identifiers
- CAS
72660-52-7- PubChem CID
- 175109
- DTXSID
DTXSID50222977- ChEBI
CHEBI:198596- Nikkaji
- J126.232G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Boiling point
- 660.344 · 660.344±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.616 · 1.616±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.225 · 4.225±0.10(predicted)
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
2 records
Compound notes
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