Cas no 100007-53-2 (a-Etoposide)

a-Etoposide structure

Product Name:a-Etoposide

CAS No:100007-53-2

MF:C₂₉H₃₂O₁₃

MW:588.556590080261

CID:1059861

PubChem ID:40469452

Update Time:2025-04-20

a-Etoposide Chemical and Physical Properties

Names and Identifiers

- α-Etoposide
- etoposide
- (5R,5aR,8aR,9S)-9-[[4,6-O-(1R)-Ethylidene-alpha-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
- J-000003
- alpha-Etoposide
- 100007-53-2
- Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[(4,6-O-ethylidene-alpha-D-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-[5alpha,5abeta,8aalpha,9beta(R*)]]-
- Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[[4,6-O-(1R)-ethylidene-alpha-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-
- (5R,5aR,8aR,9S)-9-[[4,6-O-(1R)-Ethylidene-alpha-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
- GU2VC33E9C
- (5R,5aR,8aR,9S)-9-[[4,6-O-(1R)-Ethylidene-a-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; Pyrano[3,2-d]-1,3-dioxin Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one Deriv.
- Etoposide, alpha-
- a-Etoposide
- Inchi： 1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29-/m1/s1
- InChI Key： VJJPUSNTGOMMGY-LMSDHMSKSA-N
- SMILES： O([C@@H]1[C@@H]([C@H]([C@H]2[C@@H](CO[C@@H](C)O2)O1)O)O)[C@@H]1C2C=C3C(=CC=2[C@@H](C2C=C(C(=C(C=2)OC)O)OC)[C@H]2C(=O)OC[C@@H]21)OCO3

Computed Properties

Exact Mass: 588.18429107g/mol
Monoisotopic Mass: 588.18429107g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 13
Heavy Atom Count: 42
Rotatable Bond Count: 5
Complexity: 969
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 10
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.6
Topological Polar Surface Area: 161?2

Experimental Properties

Density: 1.55±0.1 g/cm3 (20 oC 760 Torr),
Solubility: Almost insoluble (0.036 g/l) (25 o C),

a-Etoposide Pricemore >>

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