{
"ark": "ark:/c7614/q4st7fv5j",
"cas": null,
"chemspider_id": "",
"doi": "10.17614/Q4ST7FV5J",
"elements": [
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"exact mass": 805.3128167610014,
"formula": "C45H48N3O9P",
"inchi": "InChI=1S/C45H48N3O9P/c1-54-32-18-30-40(58(52,53,56-37-25-13-5-14-26-37)57-38-27-15-6-16-28-38)46-43(49)39-29-17-31-48(39)44(50)42(47-45(51)55-33-34-19-7-2-8-20-34)41(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h2-16,18-28,32,39-42,52-53H,17,29-31,33H2,1H3,(H,46,49)(H,47,51)/b32-18+/t39-,40-,42+/m0/s1\n",
"inchikey": "RYHYSOICLVLDDN-JBHUJMBHSA-N",
"iupac_name": "benzyl N-[(1R)-1-benzhydryl-2-[(2S)-2-[[(E,1S)-1-[dihydroxy(diphenoxy)-λ5-phosphanyl]-4-methoxy-but-3-enyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate",
"molecular mass": 805.8510809999985,
"name": "benzyl N-[(1R)-1-benzhydryl-2-[(2S)-2-[[(E,1S)-1-[dihydroxy(diphenoxy)-λ5-phosphanyl]-4-methoxy-but-3-enyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamate",
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"dipoleMoment": 1.166,
"heatOfFormation": -1428.20267,
"homo": -8.172,
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"polarizability": 89.919141,
"rotational": [
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"surfaceArea": 608.33,
"volume": 948.62
},
"pointGroup": "C1",
"pubchem_cid": "",
"shortdoi": "10/f3ffxq",
"smiles": "CO/C=C/C[C@H](P(Oc1ccccc1)(Oc1ccccc1)(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1",
"synonyms": "",
"tags": [
"alkene",
"enol_ether",
"hydrophilic",
"amide",
"alkyl",
"aromatic",
"benzene_ring",
"carbonyl",
"donor",
"ring",
"ether",
"carbamate"
],
"wiki": ""
}