Cas no 55224-05-0 (Davercin)

Davercin structure
Davercin structure
Product Name:Davercin
CAS No:55224-05-0
MF:C38H65NO14
MW:759.921013593674
MDL:MFCD28348360
CID:56717
PubChem ID:10033072
Update Time:2025-04-18

Davercin Chemical and Physical Properties

Names and Identifiers

    • Davercin
    • Erythromycin A cyclic 11,12-carbonate
    • (1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-Dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione
    • ERYTHROMYCIN CYCLOCARBONATE
    • Carbonato ciclico de eritromicina a
    • CWE
    • Cykliczny weglan erytromycyny a
    • Cykliczny weglan erytromycyny A [polish]
    • Dravercin
    • Eritromicina A carbonato
    • Eritromicina A carbonato [spanish]
    • Erythromycin A 11,12-carbonate
    • Erythromycin cyclic carbonate
    • (2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-et
    • Erythromycin, cyclic 11,12-carbonate
    • 4H3125L82R
    • CHEMBL4788726
    • Erythromycin A cyclic carbonate
    • 55224-05-0
    • HY-100584
    • UNII-4H3125L82R
    • (3aR,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-10-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-ethyl-11-hydroxy-8-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3a,7,9,11,13,15-hexamethyldecahydro-6H-[1,3]dioxolo[4,5-c][1]oxacyclotetradecine-2,6,14(7H)-trione
    • CHEBI:135881
    • Carbonato ciclico de eritromicina A [Spanish]
    • s7550
    • ERYTHROMYCIN CYCLOCARBONATE [WHO-DD]
    • AKOS037515854
    • NCGC00386404-01
    • (3aR,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-hydroxy-8-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3a,7,9,11,13,15-hexamethyl-tetradecahydro-[1,3]dioxolo[4,5-c]oxacyclotetradecane-2,6,14-trione
    • (3aR,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-10-(((2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-ethyl-11-hydroxy-8-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3a,7,9,11,13,15-hexamethyloctahy
    • (1R,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione
    • 11054-95-8
    • CS-6076
    • CCG-270443
    • DTXSID801031707
    • Q27259580
    • cyclic 11,12-erythromycin A carbonate
    • Erythromycin Cyclocarbonate?
    • DA-52325
    • 4H-1,3-Dioxolo[4,5-c]oxacyclotetradecin, erythromycin deriv.; Davercin; Erythromycin A 11,12-carbonate; Erythromycin A cyclic 11,12-carbonate; Erythromycin cyclic carbonate
    • MDL: MFCD28348360
    • Inchi: 1S/C38H65NO14/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30+,31-,32-,34+,36-,37-,38-/m1/s1
    • InChI Key: NKLGIWNNVDPGCA-ZDYKNUMJSA-N
    • SMILES: O([C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O)[C@H]1[C@@](C)(C[C@@H](C)C([C@H](C)[C@@H]2[C@@](C)([C@@H](CC)OC([C@H](C)[C@H]([C@@H]1C)O[C@H]1C[C@](C)([C@H]([C@H](C)O1)O)OC)=O)OC(=O)O2)=O)O

Computed Properties

  • Exact Mass: 759.44100
  • Monoisotopic Mass: 759.441
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 53
  • Rotatable Bond Count: 7
  • Complexity: 1300
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 17
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 189

Experimental Properties

  • Color/Form: No data available
  • Density: 1.22
  • Melting Point: No data available
  • Boiling Point: 859.8°C at 760 mmHg
  • Flash Point: 473.8±34.3 °C
  • Refractive Index: 1.534
  • Solubility: 生物體外In Vitro:DMSO溶解度≥ 50 mg/mL(65.80 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知.
  • PSA: 188.98000
  • LogP: 2.96780

Davercin Security Information

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