75321-08-3
P-NITROBENZYL (5R,6S)-2-(DIPHENYLPHOSPHORYLOXY)-6-((1R)-1-HYDROXYETHYL)CARBAPEN-2-EM-3-CARBOXYLATE
NameP-NITROBENZYL (5R,6S)-2-(DIPHENYLPHOSPHORYLOXY)-6-((1R)-1-HYDROXYETHYL)CARBAPEN-2-EM-3-CARBOXYLATE
1Identification
【Name】
P-NITROBENZYL (5R,6S)-2-(DIPHENYLPHOSPHORYLOXY)-6-((1R)-1-HYDROXYETHYL)CARBAPEN-2-EM-3-CARBOXYLATE
【CAS】
【MDL】
MFCD08706413
【English Synonyms】
【Formula】
C28 H25 N2 O10 P
【MolWeight】
580.484
【Inchi】
InChI=1S/C28H25N2O10P/c1-18(31)25-23-16-24(40-41(36,38-21-8-4-2-5-9-21)39-22-10-6-3-7-11-22)26(29(23)27(25)32)28(33)37-17-19-12-14-20(15-13-19)30(34)35/h2-15,18,23,25,31H,16-17H2,1H3/t18-,23-,25-/m1/s1
【InChIKey】
InChIKey=VVLXPESSYNCTFQ-DVKBMCPXSA-N
【SMILES】
C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-])OP(=O)(Oc4ccccc4)Oc5ccccc5)O
【MOL File】
P-NITROBENZYL (5R,6S….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:12
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
P-NITROBENZYL (5R,6S)-2-(DIPHENYLPHOSPHORYLOXY)-6-((1R)-1-HYDROXYETHYL)CARBAPEN-2-EM-3-CARBOXYLATE.cml