Home Carboxys (4R,5R,6S)-4-Nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

(4R,5R,6S)-4-Nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

CAS No.:
90776-59-3
Catalog Number:
AG00ILR0
Molecular Formula:
C29H27N2O10P
Molecular Weight:
594.5058
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$41
- +
5g
95%
In Stock USA
United States
$87
- +
10g
95%
In Stock USA
United States
$133
- +
25g
95%
In Stock USA
United States
$246
- +
100g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00ILR0
Chemical Name:
(4R,5R,6S)-4-Nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Number:
90776-59-3
Molecular Formula:
C29H27N2O10P
Molecular Weight:
594.5058
MDL Number:
MFCD01318092
IUPAC Name:
(4-nitrophenyl)methyl (4R,5R,6S)-3-diphenoxyphosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
InChI:
InChI=1S/C29H27N2O10P/c1-18-25-24(19(2)32)28(33)30(25)26(29(34)38-17-20-13-15-21(16-14-20)31(35)36)27(18)41-42(37,39-22-9-5-3-6-10-22)40-23-11-7-4-8-12-23/h3-16,18-19,24-25,32H,17H2,1-2H3/t18-,19-,24-,25-/m1/s1
InChI Key:
STULDTCHQXVRIX-PIYXRGFCSA-N
SMILES:
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)OCc1ccc(cc1)[N+](=O)[O-])OP(=O)(Oc1ccccc1)Oc1ccccc1)O
Properties
Complexity:
1060  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
594.14g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
594.513g/mol
Monoisotopic Mass:
594.14g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties