Basic information
- CAS
52934-85-7- Standard SMILES
CC1O[C@@H](CC(=O)O)CC2C(=O)c3cccc(O)c3C(=O)[C@]12O- InChIKey
IRFITFGOKXSNHV-GHYDZUPMSA-N- Molecular formula
- C16H16O7
- Average molar mass
- 320.29 g/mol
- Monoisotopic mass
- 320.08960285
Overview
produced by a strain OS-3966 of Streptomyces rosa var. notoensis; quinone-related cpd; MF C16-H16-O7; see also nanaomycin A: 52934-83-5, nanaomycin C: 58286-55-8, nanaomycin E: 72660-52-7; structure
Names & identifiers
- Preferred name
- Nanaomycin B
- IUPAC
- 2-[(3R,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acid
- English name
- Nanaomycin B
- Molecular formula
- C16H16O7
- Molecular weight
- 320.29
Names & synonyms
Nanaomycin B52934-85-7RefChem:1645062-[(3R,10aR)-9,10a-dihydroxy-1-methyl-5,10-dioxo-1,3,4,4a-tetrahydrobenzo[g]isochromen-3-yl]acetic acidAntibiotic OS 3966BOS-3966-BSCHEMBL29884296DTXSID809674051H-Naphtho(2,3-c)pyran-3-acetic acid, 3,4,4a,5,10,10a-hexahydro-9,10a-dihydroxy-1-methyl-5,10-dioxo-, (1S-(1-alpha,3-beta,4a-alpha,10a-beta))-(9,10a-Dihydroxy-1-methyl-5,10-dioxo-3,4,4a,5,10,10a-hexahydro-1H-naphtho[2,3-c]pyran-3-yl)acetic acid[(3R,10aR)-9,10a-Dihydroxy-1-methyl-5,10-dioxo-3,4,4a,5,10,10a-hexahydro-1H-naphtho[2,3-c]pyran-3-yl]acetic acidAntibiotic OS-3966B
Show more names
(1S)-3,4,4aα,5,10,10a-Hexahydro-9,10aβ-dihydroxy-1-methyl-5,10-dioxo-1H-naphtho[2,3-c]pyran-3β-acetic acid1H-Naphtho[2,3-c]pyran-3-acetic acid, 3,4,4a,5,10,10a-hexahydro-9,10a-dihydroxy-1-methyl-5,10-dioxo-, (1S,3R,4aR,10aR)-
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Boiling point
- 643.7 · 643.7±55.0 °C(Predicted)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- pka
- 4.25 · 4.25±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
0 records
No reaction records under the current filter.
Compound notes
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