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Genz-123346 10mg

CAT: 0628-A21536-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A21536-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
943344-58-9

Chemical Information

Gqh5N7U72P
CAS Number943344-58-9
PubChem CID92044364
IUPAC Namebis(N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]nonanamide);(2R,3R)-2,3-dihydroxybutanedioic acid
Molecular FormulaC52H82N4O14
Molecular Weight987.2
Topological Polar Surface Area257
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count27
Heavy Atom Count70
Formal Charge0
Complexity631
SMILES
CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O.CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/2C24H38N2O4.C4H6O6/c2*1-2-3-4-5-6-7-10-23(27)25-20(18-26-13-8-9-14-26)24(28)19-11-12-21-22(17-19)30-16-15-29-21;5-1(3(7)8)2(6)4(9)10/h2*11-12,17,20,24,28H,2-10,13-16,18H2,1H3,(H,25,27);1-2,5-6H,(H,7,8)(H,9,10)/t2*20-,24-;1-,2-/m111/s1
InChIKey
ZRGZTIAIHNUMCZ-DQKXIDSGSA-N
Chemical Structure
2D Structure
2D structure of Gqh5N7U72P
CAS: 943344-58-9
CID: 92044364
Formula: C52H82N4O14
MW: 987.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight987.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count27
Exact Mass986.58275330
Monoisotopic Mass986.58275330
Topological Polar Surface Area257 Ų
Heavy Atom Count70
Formal Charge0
Complexity631
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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