beta-Methyl Vinyl Phosphate (MAP) - CAS 90776-59-3
Catalog: |
BB039946 |
Product Name: |
beta-Methyl Vinyl Phosphate (MAP) |
CAS: |
90776-59-3 |
Synonyms: |
(4R,5R,6S)-3-diphenoxyphosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester; (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 |
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 |
Description: | Meropenem intermediate. A 1β-methyl carbapenem derivative as antibacterial agent. |
Molecular Weight: | 594.51 |
Molecular Formula: | C29H27N2O10P |
Canonical SMILES: | CC1C2C(C(=O)N2C(=C1OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(C)O |
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 |
Boiling Point: | 722.4 ℃ at760 mmHg |
Melting Point: | 129-131 ℃ |
Purity: | 98 % |
Density: | 1.47 g/cm3 |
Appearance: | 1KG; 20KG |
Storage: | -20 ℃ Freezer, Under Inert Atmosphere |
MDL: | MFCD01318092 |
LogP: | 5.45090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021101620-A1 | Broad-spectrum carbapenems | 20191121 |
WO-2021081714-A1 | Method for continuously preparing map penem intermediate | 20191028 |
WO-2020214889-A1 | Delivery and retention of active agents within the skin | 20190419 |
WO-2019232053-A1 | Broad-spectrum carbapenems | 20180530 |
EP-3802538-A1 | Broad-spectrum carbapenems | 20180530 |
Complexity: | 1060 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 594.14033206 |
Formal Charge: | 0 |
Heavy Atom Count: | 42 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 594.14033206 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 157 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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