Home Carboxys Sodium (2S,4S)-4-cyclohexyl-1-(2-((2-methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)acetyl)pyrrolidine-2-carboxylate

Sodium (2S,4S)-4-cyclohexyl-1-(2-((2-methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)acetyl)pyrrolidine-2-carboxylate

CAS No.:
88889-14-9
Catalog Number:
AG00IFIB
Molecular Formula:
C30H45NNaO7P
Molecular Weight:
585.6443
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%(HPLC)
In Stock USA
United States
$60
- +
25mg
98%(HPLC)
In Stock USA
United States
$105
- +
50mg
98%(HPLC)
In Stock USA
United States
$175
- +
100mg
98%(HPLC)
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG00IFIB
Chemical Name:
Sodium (2S,4S)-4-cyclohexyl-1-(2-((2-methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)acetyl)pyrrolidine-2-carboxylate
CAS Number:
88889-14-9
Molecular Formula:
C30H45NNaO7P
Molecular Weight:
585.6443
MDL Number:
MFCD00897699
IUPAC Name:
sodium;(2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate
InChI:
InChI=1S/C30H46NO7P.Na/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24;/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35);/q;+1/p-1/t25-,26+,30?,39?;/m1./s1
InChI Key:
TVTJZMHAIQQZTL-HREVRLCXSA-M
SMILES:
CCC(=O)O[C@H](C(C)C)O[P@@](=O)(CC(=O)N1C[C@@H](C[C@H]1C(=O)[O-])C1CCCCC1)CCCCc1ccccc1.[Na+]
Properties
Complexity:
857  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
585.283g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
585.654g/mol
Monoisotopic Mass:
585.283g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Literature
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