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Teniposide Impurity 2

CAT: 1299-RM-T311002-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T311002-01Size:10 mg
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CAS Number
29767-20-2
Synonyms
(5R,5aR,8aR,9S) -9- (((2R,4aR,6R,7R,8R,8aS) -7,8-dihydroxy-2- (thiophen-2-yl) hexahydropyrano[3,2-d][1,3]dioxin-6-yl) oxy) -5- (4-hydroxy-3,5-dimethoxyphenyl) -5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6 (5aH) -one
Molecular Formula
C32H32O13S
Molecular Weight
656.66
Target Alternative Name
Teniposide
Product Name Synonym
(5R,5aR,8aR,9S) -9- (((2R,4aR,6R,7R,8R,8aS) -7,8-dihydroxy-2- (thiophen-2-yl) hexahydropyrano[3,2-d][1,3]dioxin-6-yl) oxy) -5- (4-hydroxy-3,5-dimethoxyphenyl) -5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6 (5aH) -one

Chemical Information

Teniposide

Teniposide can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number29767-20-2
PubChem CID452548
IUPAC Name(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Molecular FormulaC32H32O13S
Molecular Weight656.7
XLogP1.2
Topological Polar Surface Area189
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count46
Formal Charge0
Complexity1090
SMILES
COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O
InChI
InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1
InChIKey
NRUKOCRGYNPUPR-QBPJDGROSA-N
Chemical Structure
2D Structure
2D structure of Teniposide
CAS: 29767-20-2
CID: 452548
Formula: C32H32O13S
MW: 656.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight656.7
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass656.15636224
Monoisotopic Mass656.15636224
Topological Polar Surface Area189 Ų
Heavy Atom Count46
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
S1787-10mM/1mLTeniposide

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