(4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate

C125H132F6N36O30 — CID 167667122

IUPAC(4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate
SMILESCC(=O)OC1O[C@H](CN=[N+]=[N-])C(F)(F)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-].CC(=O)O[C@@H]1C(N=[N+]=[N-])C(O)O[C@H](CN=[N+]=[N-])C1(F)F.[N-]=[N+]=NC[C@H]1OC(OCc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)C1(F)F.[N-]=[N+]=NC[C@H]1OC(OCc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)C1=O.[N-]=[N+]=NC[C@H]1OC(OCc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)[C@@H]1O.[N-]=[N+]=N[C@H]1C(OCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1O.[N-]=[N+]=N[C@H]1C(OCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H]1OCc1ccccc1
InChIInChI=1S/C27H27N3O5.C20H20F2N6O3.C20H22N6O4.C20H20N6O4.C20H21N3O5.C10H12F2N6O5.C8H10F2N6O4/c28-30-29-23-25(31-16-19-10-4-1-5-11-19)24-22(18-33-26(35-24)21-14-8-3-9-15-21)34-27(23)32-17-20-12-6-2-7-13-20;21-20(22)16(11-25-27-23)31-19(30-13-15-9-5-2-6-10-15)17(26-28-24)18(20)29-12-14-7-3-1-4-8-14;2*21-25-23-11-16-18(27)19(28-12-14-7-3-1-4-8-14)17(24-26-22)20(30-16)29-13-15-9-5-2-6-10-15;21-23-22-16-17(24)18-15(12-26-19(28-18)14-9-5-2-6-10-14)27-20(16)25-11-13-7-3-1-4-8-13;1-4(19)21-8-7(16-18-14)9(22-5(2)20)23-6(3-15-17-13)10(8,11)12;1-3(17)19-6-5(14-16-12)7(18)20-4(2-13-15-11)8(6,9)10/h1-15,22-27H,16-18H2;1-10,16-19H,11-13H2;1-10,16-20,27H,11-13H2;1-10,16-17,19-20H,11-13H2;1-10,15-20,24H,11-12H2;6-9H,3H2,1-2H3;4-7,18H,2H2,1H3/t22-,23-,24-,25+,26?,27?;16-,17-,18-,19?;16-,17-,18-,19-,20?;16-,17-,19-,20?;15-,16-,17-,18-,19?,20?;6-,7-,8-,9?;4-,5?,6-,7?/m1111111/s1
InChIKeySULOALXNUOOLAF-DMMVDRMCSA-N
MW2732.64 g/mol
LogP24.55
Rot. Bonds49

About (4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate

(4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate (PubChem CID 167667122) has the molecular formula C125H132F6N36O30 and a molecular weight of 2732.64 g/mol. Its IUPAC name is (4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate.

Molecular Properties

Compound Name(4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate
PubChem CID167667122
Molecular FormulaC125H132F6N36O30
Molecular Weight2732.64 g/mol
Exact Mass2730.98
IUPAC Name(4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate
SMILESCC(=O)OC1O[C@H](CN=[N+]=[N-])C(F)(F)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-].CC(=O)O[C@@H]1C(N=[N+]=[N-])C(O)O[C@H](CN=[N+]=[N-])C1(F)F.[N-]=[N+]=NC[C@H]1OC(OCc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)C1(F)F.[N-]=[N+]=NC[C@H]1OC(OCc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)C1=O.[N-]=[N+]=NC[C@H]1OC(OCc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)[C@@H]1O.[N-]=[N+]=N[C@H]1C(OCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1O.[N-]=[N+]=N[C@H]1C(OCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H]1OCc1ccccc1
InChIInChI=1S/C27H27N3O5.C20H20F2N6O3.C20H22N6O4.C20H20N6O4.C20H21N3O5.C10H12F2N6O5.C8H10F2N6O4/c28-30-29-23-25(31-16-19-10-4-1-5-11-19)24-22(18-33-26(35-24)21-14-8-3-9-15-21)34-27(23)32-17-20-12-6-2-7-13-20;21-20(22)16(11-25-27-23)31-19(30-13-15-9-5-2-6-10-15)17(26-28-24)18(20)29-12-14-7-3-1-4-8-14;2*21-25-23-11-16-18(27)19(28-12-14-7-3-1-4-8-14)17(24-26-22)20(30-16)29-13-15-9-5-2-6-10-15;21-23-22-16-17(24)18-15(12-26-19(28-18)14-9-5-2-6-10-14)27-20(16)25-11-13-7-3-1-4-8-13;1-4(19)21-8-7(16-18-14)9(22-5(2)20)23-6(3-15-17-13)10(8,11)12;1-3(17)19-6-5(14-16-12)7(18)20-4(2-13-15-11)8(6,9)10/h1-15,22-27H,16-18H2;1-10,16-19H,11-13H2;1-10,16-20,27H,11-13H2;1-10,16-17,19-20H,11-13H2;1-10,15-20,24H,11-12H2;6-9H,3H2,1-2H3;4-7,18H,2H2,1H3/t22-,23-,24-,25+,26?,27?;16-,17-,18-,19?;16-,17-,18-,19-,20?;16-,17-,19-,20?;15-,16-,17-,18-,19?,20?;6-,7-,8-,9?;4-,5?,6-,7?/m1111111/s1
InChIKeySULOALXNUOOLAF-DMMVDRMCSA-N
XLogP24.55
TPSA926.38 Ų
H-Bond Donors3
H-Bond Acceptors42
Rotatable Bonds49
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002732.64
LogP ≤ 524.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

(2R,3R,4R,5S,6S)-3-[(3R,4R,5S,6R)-3-azido-6-(azidomethyl)-4-methoxy-5-phenylmethoxyoxan-2-yl]oxy-2-(azidomethyl)-4-methoxy-6-methyl-5-phenylmethoxyoxane;(3R,4R,5R,6R)-3,4-diazido-2-[(2R,3S,5R,6S)-5-azido-2-(azidomethyl)-6-methyloxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane;(3R,4R,5R,6R)-3,4-diazido-2-[(2R,3R,4S,5S,6S)-2-(azidomethyl)-5-fluoro-6-methyl-4-phenylmethoxyoxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane;(2S,4R)-3,3-difluoro-4-methoxy-6-[(2S,3S,4S,5R)-4-methoxy-2,5,6-trimethyloxan-3-yl]oxy-2,4-dimethyloxane
CID 158264804
(4aR,7R,8R,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate
CID 167667123
[(2R,3R,4S,5R,6S)-2-[[(2R,4aR,6R,7S,8R,8aS)-7-azido-2-phenyl-8-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyl]-4,5-diacetyloxy-6-methoxyoxan-3-yl] acetate
CID 11170716
Benzyl (methyl 2-O-acetyl-3-O-benzyl-alpha-L-idopyranosyluronate)-(1,4)-(6-O-acetyl-2-azido-3-O-benzyl-2-deoxy-alpha/beta-D-glucopyranoside)
CID 54613778
Methyl [2-azido-3,6-di-O-benzyl-2-deoxy-alpha-D-glucopyranosyl-(1,4)-(methyl 2-O-benzoyl-3-O-benzyl-alpha-L-idopyranosyl uronate)-(1,4)-2-azido-3,6-di-O-benzyl-2-deoxy-alpha-D-glucopyranosyl-(1,4)-((S)-2,3-bis(benzyloxy)propyl 2-O-benzoyl-3-O-benzyl-alpha-L-idopyranoside)]uronate
CID 71464453
methyl (2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-azido-5-[(2R,3R,4S,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-azido-5-[(2R,3R,4S,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-azido-5-[(2R,3R,4S,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-azido-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-benzoyloxy-6-methoxycarbonyl-4-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-benzoyloxy-6-methoxycarbonyl-4-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-benzoyloxy-6-methoxycarbonyl-4-phenylmethoxyoxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-benzoyloxy-6-[(2R)-2,3-bis(phenylmethoxy)propoxy]-4-phenylmethoxyoxane-2-carboxylate
CID 71464467
[4,5-Diacetyloxy-2-[[7-azido-2-phenyl-8-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyl]-6-methoxyoxan-3-yl] acetate
CID 85423575
[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
CID 102322675
[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6R)-5-azido-6-[(2R,3R,4R,5R,6S)-5-azido-6-[(2S,3R,4S,5R,6R)-3,5-diazido-2-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
CID 102322676
[5-Azido-6-[5-azido-6-[5-azido-6-[5-azido-6-[5-azido-6-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-hydroxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-hydroxy-2-(phenylmethoxymethyl)-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] 2,2,3,3,3-pentafluoropropanoate
CID 177580939
methyl 9-[[(4aR,6R,7R,8S,8aS)-8-[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-azidooxan-2-yl]oxy-7-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]nonanoate
CID 13071831
methyl 9-[(2R,3R,4R,5S,6R)-3-azido-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-2-yl]oxynonanoate
CID 21307830

Frequently Asked Questions

What is the IUPAC name of (4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate?
The IUPAC name of (4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate (CID 167667122) is (4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate.
What is the SMILES notation for (4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate?
The canonical SMILES for (4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate is CC(=O)OC1O[C@H](CN=[N+]=[N-])C(F)(F)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-].CC(=O)O[C@@H]1C(N=[N+]=[N-])C(O)O[C@H](CN=[N+]=[N-])C1(F)F.[N-]=[N+]=NC[C@H]1OC(OCc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)C1(F)F.[N-]=[N+]=NC[C@H]1OC(OCc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)C1=O.[N-]=[N+]=NC[C@H]1OC(OCc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)[C@@H]1O.[N-]=[N+]=N[C@H]1C(OCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1O.[N-]=[N+]=N[C@H]1C(OCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H]1OCc1ccccc1.
What is the InChIKey of (4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate?
The InChIKey is SULOALXNUOOLAF-DMMVDRMCSA-N. The full InChI is InChI=1S/C27H27N3O5.C20H20F2N6O3.C20H22N6O4.C20H20N6O4.C20H21N3O5.C10H12F2N6O5.C8H10F2N6O4/c28-30-29-23-25(31-16-19-10-4-1-5-11-19)24-22(18-33-26(35-24)21-14-8-3-9-15-21)34-27(23)32-17-20-12-6-2-7-13-20;21-20(22)16(11-25-27-23)31-19(30-13-15-9-5-2-6-10-15)17(26-28-24)18(20)29-12-14-7-3-1-4-8-14;2*21-25-23-11-16-18(27)19(28-12-14-7-3-1-4-8-14)17(24-26-22)20(30-16)29-13-15-9-5-2-6-10-15;21-23-22-16-17(24)18-15(12-26-19(28-18)14-9-5-2-6-10-14)27-20(16)25-11-13-7-3-1-4-8-13;1-4(19)21-8-7(16-18-14)9(22-5(2)20)23-6(3-15-17-13)10(8,11)12;1-3(17)19-6-5(14-16-12)7(18)20-4(2-13-15-11)8(6,9)10/h1-15,22-27H,16-18H2;1-10,16-19H,11-13H2;1-10,16-20,27H,11-13H2;1-10,16-17,19-20H,11-13H2;1-10,15-20,24H,11-12H2;6-9H,3H2,1-2H3;4-7,18H,2H2,1H3/t22-,23-,24-,25+,26?,27?;16-,17-,18-,19?;16-,17-,18-,19-,20?;16-,17-,19-,20?;15-,16-,17-,18-,19?,20?;6-,7-,8-,9?;4-,5?,6-,7?/m1111111/s1.
What are the key properties of (4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate?
(4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate has a molecular weight of 2732.64 g/mol, XLogP of 24.55, 49 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7R,8S,8aS)-7-azido-2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(4aR,7R,8R,8aS)-7-azido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol;[(2R,4R,5R)-6-acetyloxy-5-azido-2-(azidomethyl)-3,3-difluorooxan-4-yl] acetate;(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-ol;(2R,4R,5R)-5-azido-2-(azidomethyl)-4,6-bis(phenylmethoxy)oxan-3-one;(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-4,6-bis(phenylmethoxy)oxane;[(2R,4R,5R)-5-azido-2-(azidomethyl)-3,3-difluoro-6-hydroxyoxan-4-yl] acetate is sourced from PubChem (CID 167667122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).