chempirical

Flavomycin

C69H107N4O35PCAS 11015-37-51583.58 g/mol

Open in Covalent MOL file
OOOOHNHOOOOPOOHOOOHOOOHOHOONH2OOOHOHOHOHNHOOHOOOHNOOHOHOHHO
AcetalAlcoholAlkeneAmideCarbamateCarboxylic acidEtherKetonePhosphate

Properties

Molecular formula
C69H107N4O35P
Molar mass
1583.58 g/mol
Exact mass
1582.6453 Da
logP
-1.43Crippen estimate
Polar surface area
601.9 Ų
H-bond donors / acceptors
18 / 32
Rotatable bonds
37
Stereocentres
R, S, R, R, S, S, R, S, R, R, R, R, S, S, R, R, R, R, S, S, R, R, R, S, R, Sin SMILES atom order
Double bonds
E, E, EE/Z, in SMILES order

Identifiers

CAS number
11015-37-5
SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3OP(=O)(O)OC[C@H](C(=O)O)OC/C=C(\C)/CC/C=C/C(C)(C)CCC(=C)C/C=C(\C)/CCC=C(C)C)C(=O)O)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(CCC6=O)O)O)O)O
InChIKey
PERZMHJGZKHNGU-JGYWJTCASA-N
InChI
InChI=1S/C69H107N4O35P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(60(88)89)29-98-109(94,95)108-66-56(57(107-67(70)92)69(11,93)58(106-66)61(90)91)105-63-44(72-36(8)76)47(81)54(40(101-63)28-97-64-51(85)48(82)45(79)39(27-74)100-64)103-62-43(71-35(7)75)46(80)53(34(6)99-62)102-65-52(86)49(83)50(84)55(104-65)59(87)73-42-37(77)20-21-38(42)78/h13,15,18,23-24,34,39-41,43-58,62-66,74,77,79-86,93H,5,12,14,16-17,19-22,25-29H2,1-4,6-11H3,(H2,70,92)(H,71,75)(H,72,76)(H,73,87)(H,88,89)(H,90,91)(H,94,95)/b24-13+,31-18+,32-23+/t34-,39-,40-,41-,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55+,56-,57-,58-,62+,63+,64-,65-,66-,69+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Bambermycin
  • Flapol
  • Moenomycin
  • Flavophospholipol
  • Menomycin
  • Flavofosfolipol
  • Pharmastim
  • Gainpro

Work with Flavomycin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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