Basic information
- CAS
11048-15-0- Standard SMILES
CC1OC2CC(=O)OC2C2=C1C(=O)c1c(O)cccc1C2=O- InChIKey
XUWPJKDMEZSVTP-UHFFFAOYSA-N- Molecular formula
- C16H12O6
- Average molar mass
- 300.26 g/mol
- Monoisotopic mass
- 300.0633881
Overview
nanaomycin D has been reported in Nocardiopsis prasina with data available.
Names & identifiers
- Preferred name
- Antibiotic U-19,718
- IUPAC
- 4-hydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
- English name
- Kalafungin
- Molecular formula
- C16H12O6
- Molecular weight
- 300.26
Names & synonyms
Antibiotic U-19,718MLS002920403NSC137443SMR001797995cid_283138U 19718hydroxy(methyl)[?]trioneSCHEMBL396216CHEMBL1988648BDBM114207NS000117632H-Furo[3,3-d]pyran-2,6,11-trione, 3,3a,5,11b-tetrahydro-7-hydroxy-5-methyl-
Show more names
U-19718KalamycinNSC 137443Kalafungin2H-Furo[3,2-b]naphtho[2,3-d]pyran-2,6,11-trione,3,3a,5,11b-tetrahydro-7-hydroxy-5-methyl-3,3aα,5,11bα-Tetrahydro-7-hydroxy-5α-methyl-2H-furo[3,2-b]naphtho[2,3-d]pyran-2,6,11-trione(3AS,5S,11bS)-7-Hydroxy-5-methyl-3aH-benzo[g][1,3]-dioxolo[4,5-c]isochromene-2,6,11(5H,11bH)-trio2H-Furo[3,2-b]naphtho[2,3-d]pyran-2,6,11-trione, 3,3a,5,11b-tetrahydro-7-hydroxy-5-methyl-, (3aR,5R,11bR)-
2H-Furo[3,3-d]pyran-2,6,11-trione, 3,3a,5,11b-tetrahydro-7-hydroxy-5-methyl-, [3aR-(3a.alpha.,5.alpha.,11b.alpha.)]-3,3a,5,11b-Tetrahydro-7-hydroxy-5-methyl-2H-furo[3,2-b]naphtho[2,3-d]pyran-2,6,11-trione7-Hydroxy-5-methyl-3,3a,5,11b-tetrahydro-2H-furo[3,2-b]naphtho[2,3-d]pyran-2,6,11-trione
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 606
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 168 · 168-170 °C(Solvent: Dichloromethane; Pentane)
- Boiling point
- 624.508 · 624.508±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.56 · 1.560±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.534 · 6.534±0.40(predicted)
- FDA UNII
- 7 HR91T5TGW · 7HR91T5TGW
Chemistry & industry
Applications
UsesAntifungal.
Suppliers9 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖南瑞威尔生物科技有限公司18086085632 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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