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Fodipir

CAT: 0607-BA7314-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7314-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
118248-91-2
Form
A solid
Molecular Formula
C22H32N4O14P2
Molecular Weight
638.46
Shipping Conditions
Blue ice
Storage Conditions
4°C.

Chemical Information

Fodipir
CAS Number118248-91-2
PubChem CID60683
IUPAC Name2-[2-[carboxymethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methyl]amino]ethyl-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methyl]amino]acetic acid
Molecular FormulaC22H32N4O14P2
Molecular Weight638.5
XLogP-8.1
Topological Polar Surface Area281
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count17
Heavy Atom Count42
Formal Charge0
Complexity907
SMILES
CC1=NC=C(C(=C1O)CN(CCN(CC2=C(C(=NC=C2COP(=O)(O)O)C)O)CC(=O)O)CC(=O)O)COP(=O)(O)O
InChI
InChI=1S/C22H32N4O14P2/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38)
InChIKey
SQKUFYLUXROIFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fodipir
CAS: 118248-91-2
CID: 60683
Formula: C22H32N4O14P2
MW: 638.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight638.5
XLogP3-8.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count17
Exact Mass638.13902570
Monoisotopic Mass638.13902570
Topological Polar Surface Area281 Ų
Heavy Atom Count42
Formal Charge0
Complexity907
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-108869-01Fodipir
A19598-25Fodipir (DPDP) 25mg
HY-108869RFodipir (Standard)
A19598-1Fodipir 1mg
A19598-10Fodipir 10mg
A19598-5Fodipir 5mg
A19598-2Fodipir (DPDP) 2mg
A19598-100Fodipir (DPDP) 100mg
A19598-50Fodipir (DPDP) 50mg

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