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Chemical phosphorylating reagent (cpr)

CAT: 0926-IEA78302-01Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0926-IEA78302-01Size:5000 mg
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CAS Number
108783-02-4
Smiles
C1C (C (C (C (O1) O) O) O) O
Molecular Formula
C5H10O5
Molecular Weight
150.13 g/mol
Controlled
No

Chemical Information

3-[2-[2-[Bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CAS Number108783-02-4
PubChem CID10283145
IUPAC Name3-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Molecular FormulaC34H45N2O7PS
Molecular Weight656.8
XLogP5.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count19
Heavy Atom Count45
Formal Charge0
Complexity944
SMILES
CC(C)N(C(C)C)P(OCCC#N)OCCS(=O)(=O)CCOC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C34H45N2O7PS/c1-27(2)36(28(3)4)44(42-22-10-21-35)43-24-26-45(37,38)25-23-41-34(29-11-8-7-9-12-29,30-13-17-32(39-5)18-14-30)31-15-19-33(40-6)20-16-31/h7-9,11-20,27-28H,10,22-26H2,1-6H3
InChIKey
RJDYWMSSNMDIOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-[2-[Bis(4-methoxyphenyl)-phenylmethoxy]ethylsulfonyl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CAS: 108783-02-4
CID: 10283145
Formula: C34H45N2O7PS
MW: 656.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight656.8
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count19
Exact Mass656.26850995
Monoisotopic Mass656.26850995
Topological Polar Surface Area116 Ų
Heavy Atom Count45
Formal Charge0
Complexity944
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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