chempirical

Etoposide phosphate

C29H33O16PCAS 117091-64-2668.54 g/mol

Open in Covalent MOL file
OOOOOOHOHOOOOOOPOHOHO
AcetalAlcoholEsterEtherLactonePhosphate

Properties

Molecular formula
C29H33O16P
Molar mass
668.54 g/mol
Exact mass
668.1506 Da
logP
1.10Crippen estimate
Polar surface area
207.4 Ų
H-bond donors / acceptors
4 / 14
Rotatable bonds
7
Stereocentres
R, S, R, R, R, S, R, R, R, Rin SMILES atom order

Identifiers

CAS number
117091-64-2
SMILES
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O
InChIKey
LIQODXNTTZAGID-OCBXBXKTSA-N
InChI
InChI=1S/C29H33O16P/c1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35)/t11-,15+,20-,21-,22+,23-,24-,25-,27-,29+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5-[3,5-dimethoxy-4-(phosphonooxy)phenyl]-9-[[4,6-O-(1R)-ethylidene-β-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-, (5R,5aR,8aR,9S)-
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5-[3,5-dimethoxy-4-(phosphonooxy)phenyl]-9-[(4,6-O-ethylidene-β-D-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-, [5R-[5α,5aβ,8aα,9β(R*)]]-
  • Pyrano[3,2-d]-1,3-dioxin, furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one deriv.
  • (5R,5aR,8aR,9S)-5-[3,5-Dimethoxy-4-(phosphonooxy)phenyl]-9-[[4,6-O-(1R)-ethylidene-β-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydrofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
  • BMY 40481
  • Etoposide 4′-phosphate
  • Etopofos
  • Etopophos

Work with Etoposide phosphate

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

Similar compounds

Etoposide33419-42-080 % similar Podophyllotoxin glucoside16481-54-264 % similar Teniposide29767-20-261 % similar Picropodophyllin477-47-449 % similar Podophyllotoxin518-28-549 % similar 4′-Demethylpodophyllotoxin40505-27-947 % similar Eleutheroside E39432-56-932 % similar (-)-Syringaresinol diglucoside66791-77-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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