bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C28H75N2O9P25 — CID 159667389

IUPACbis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC(OC(C)=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C.C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C=O.PPP(P(P)P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C16H27NO5.C12H21NO4.H27P25/c1-9-12(20-11(3)18)13-10(2)21-16(7,8)17(13)14(19)22-15(4,5)6;1-8-9(7-14)13(12(5,6)16-8)10(15)17-11(2,3)4;1-14-21(15(2)3)24(20(12)13)25(22(16(4)5)17(6)7)23(18(8)9)19(10)11/h9-10,12-13H,1H2,2-8H3;7-9H,1-6H3;14H,1-13H2/t10-,12?,13+;8-,9-;/m00./s1
InChIKeyMTOVGYLCKASZSL-NZATVHFYSA-N
MW1358.26 g/mol
LogP19.11
Rot. Bonds15

About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 159667389) has the molecular formula C28H75N2O9P25 and a molecular weight of 1358.26 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID159667389
Molecular FormulaC28H75N2O9P25
Molecular Weight1358.26 g/mol
Exact Mass1357.89
IUPAC Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC(OC(C)=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C.C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C=O.PPP(P(P)P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C16H27NO5.C12H21NO4.H27P25/c1-9-12(20-11(3)18)13-10(2)21-16(7,8)17(13)14(19)22-15(4,5)6;1-8-9(7-14)13(12(5,6)16-8)10(15)17-11(2,3)4;1-14-21(15(2)3)24(20(12)13)25(22(16(4)5)17(6)7)23(18(8)9)19(10)11/h9-10,12-13H,1H2,2-8H3;7-9H,1-6H3;14H,1-13H2/t10-,12?,13+;8-,9-;/m00./s1
InChIKeyMTOVGYLCKASZSL-NZATVHFYSA-N
XLogP19.11
TPSA120.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001358.26
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;(2R,3R)-3-methylpent-4-en-2-ol
CID 158619626
tert-butyl (4R,5R)-5-[(1S)-1-acetyloxyprop-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 102255285
tert-butyl (4R,5S)-5-[(1S)-1-acetyloxyprop-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 102255288
tert-butyl (4R,5R)-5-[(1R)-1-acetyloxyprop-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 11660120
tert-butyl (4S,5R)-4-[(E,1R)-4-methoxy-1-methylsulfonyloxy-4-oxobut-2-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10916548
tert-butyl (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl N-[(3R,4R)-4-hydroxypent-1-en-3-yl]carbamate;methane
CID 162259502
tert-butyl (4R,5R)-4-[(1R)-1-(benzylamino)prop-2-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 101074532
tert-butyl (4S,5S)-4-[(E,1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypent-3-enyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10048288
2-[(4R,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]acetic acid
CID 14237856
tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 85079451
2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
CID 54594433
tert-butyl (4R,5R)-4-[(1R)-2-acetamido-3,3-diethoxy-1-hydroxypropyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 171379504

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 159667389) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is C=CC(OC(C)=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C.C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C=O.PPP(P(P)P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is MTOVGYLCKASZSL-NZATVHFYSA-N. The full InChI is InChI=1S/C16H27NO5.C12H21NO4.H27P25/c1-9-12(20-11(3)18)13-10(2)21-16(7,8)17(13)14(19)22-15(4,5)6;1-8-9(7-14)13(12(5,6)16-8)10(15)17-11(2,3)4;1-14-21(15(2)3)24(20(12)13)25(22(16(4)5)17(6)7)23(18(8)9)19(10)11/h9-10,12-13H,1H2,2-8H3;7-9H,1-6H3;14H,1-13H2/t10-,12?,13+;8-,9-;/m00./s1.
What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 1358.26 g/mol, XLogP of 19.11, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 159667389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).