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6-Iodo Diosmin

CAT: 0024-sc-489239Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-489239Size:1 mg
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CAS Number
1431536-92-3

Chemical Information

6-Iodo Diosmin
CAS Number1431536-92-3
PubChem CID71749478
IUPAC Name5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-iodo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular FormulaC28H31IO15
Molecular Weight734.4
XLogP-0.2
Topological Polar Surface Area234
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1030
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)I)O)O)O)O)O)O
InChI
InChI=1S/C28H31IO15/c1-9-20(32)23(35)25(37)27(41-9)40-8-17-21(33)24(36)26(38)28(44-17)43-16-7-15-18(22(34)19(16)29)12(31)6-14(42-15)10-3-4-13(39-2)11(30)5-10/h3-7,9,17,20-21,23-28,30,32-38H,8H2,1-2H3/t9-,17+,20-,21+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey
ODHZOEUTFCPQMO-MBXQFJRTSA-N
Chemical Structure
2D Structure
2D structure of 6-Iodo Diosmin
CAS: 1431536-92-3
CID: 71749478
Formula: C28H31IO15
MW: 734.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight734.4
XLogP3-0.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass734.07077
Monoisotopic Mass734.07077
Topological Polar Surface Area234 Ų
Heavy Atom Count44
Formal Charge0
Complexity1030
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

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GY5625-1mg6-Iodo Diosmin
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AR-D01913-01Diosmin EP Impurity D (6-Iodo Diosmin)
TRC-KIT0735-1X1ML6-Iodo Diosmin (1.0 mg/mL in DMSO)
AR-D07176-01Diosmin Impurity 6
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