(4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol

C182H244N10O43 — CID 158311289

IUPAC(4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol
SMILESC1CCOC1.CC1C(OCc2ccccc2)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)OC(O)C2OC(C)(C)OC21.CC1C(OCc2ccccc2)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)O[C@@H](OC2C(C)[C@@H](N=[N+]=[N-])C(COCc3ccccc3)O[C@H]2C)C2OC(C)(C)OC21.CC1C(OCc2ccccc2)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)O[C@@H](OC2C(C)[C@@H](N=[N+]=[N-])C(COCc3ccccc3)O[C@H]2O)C2OC(C)(C)OC21.CC1CC(COCc2ccccc2)O[C@@H](C)C1O.[2H]CC.[H]/N=C(/C)[C@@H]1OC(COCc2ccccc2)[C@H](N=[N+]=[N-])C(C)C1O[C@@H]1OC(C)[C@H](O[C@@H]2OC[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2C)C2OC(C)(C)OC21
InChIInChI=1S/C45H58N4O10.C44H57N3O10.C43H55N3O11.C29H38O8.C15H22O3.C4H8O.C2H6/c1-27-36(48-49-47)34(25-50-22-31-16-10-7-11-17-31)55-39(29(3)46)38(27)56-44-42-41(58-45(5,6)59-42)40(30(4)54-44)57-43-28(2)37(52-24-33-20-14-9-15-21-33)35(26-53-43)51-23-32-18-12-8-13-19-32;1-27-36(46-47-45)34(25-48-22-31-16-10-7-11-17-31)52-29(3)37(27)54-43-41-40(56-44(5,6)57-41)39(30(4)53-43)55-42-28(2)38(50-24-33-20-14-9-15-21-33)35(26-51-42)49-23-32-18-12-8-13-19-32;1-26-34(45-46-44)32(24-48-21-29-15-9-6-10-16-29)53-40(47)36(26)54-42-39-38(56-43(4,5)57-39)37(28(3)52-42)55-41-27(2)35(50-23-31-19-13-8-14-20-31)33(25-51-41)49-22-30-17-11-7-12-18-30;1-18-23(32-16-21-13-9-6-10-14-21)22(31-15-20-11-7-5-8-12-20)17-33-28(18)35-24-19(2)34-27(30)26-25(24)36-29(3,4)37-26;1-11-8-14(18-12(2)15(11)16)10-17-9-13-6-4-3-5-7-13;1-2-4-5-3-1;1-2/h7-21,27-28,30,34-44,46H,22-26H2,1-6H3;7-21,27-30,34-43H,22-26H2,1-6H3;6-20,26-28,32-42,47H,21-25H2,1-5H3;5-14,18-19,22-28,30H,15-17H2,1-4H3;3-7,11-12,14-16H,8-10H2,1-2H3;1-4H2;1-2H3/b46-29-;;;;;;/t27?,28?,30?,34?,35-,36-,37?,38?,39+,40+,41?,42?,43+,44+;27?,28?,29-,30?,34?,35+,36+,37?,38?,39-,40?,41?,42-,43-;26?,27?,28?,32?,33-,34-,35?,36?,37+,38?,39?,40-,41+,42+;18?,19?,22-,23?,24+,25?,26?,27?,28+;11?,12-,14?,15?;;/m10110../s1/i;;;;;;1D
InChIKeyGNSDVMVADXBOKD-ZICVEUSHSA-N
MW3260.99 g/mol
LogP29.45
Rot. Bonds58

About (4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol

(4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol (PubChem CID 158311289) has the molecular formula C182H244N10O43 and a molecular weight of 3260.99 g/mol. Its IUPAC name is (4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol.

Molecular Properties

Compound Name(4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol
PubChem CID158311289
Molecular FormulaC182H244N10O43
Molecular Weight3260.99 g/mol
Exact Mass3258.73
IUPAC Name(4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol
SMILESC1CCOC1.CC1C(OCc2ccccc2)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)OC(O)C2OC(C)(C)OC21.CC1C(OCc2ccccc2)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)O[C@@H](OC2C(C)[C@@H](N=[N+]=[N-])C(COCc3ccccc3)O[C@H]2C)C2OC(C)(C)OC21.CC1C(OCc2ccccc2)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)O[C@@H](OC2C(C)[C@@H](N=[N+]=[N-])C(COCc3ccccc3)O[C@H]2O)C2OC(C)(C)OC21.CC1CC(COCc2ccccc2)O[C@@H](C)C1O.[2H]CC.[H]/N=C(/C)[C@@H]1OC(COCc2ccccc2)[C@H](N=[N+]=[N-])C(C)C1O[C@@H]1OC(C)[C@H](O[C@@H]2OC[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2C)C2OC(C)(C)OC21
InChIInChI=1S/C45H58N4O10.C44H57N3O10.C43H55N3O11.C29H38O8.C15H22O3.C4H8O.C2H6/c1-27-36(48-49-47)34(25-50-22-31-16-10-7-11-17-31)55-39(29(3)46)38(27)56-44-42-41(58-45(5,6)59-42)40(30(4)54-44)57-43-28(2)37(52-24-33-20-14-9-15-21-33)35(26-53-43)51-23-32-18-12-8-13-19-32;1-27-36(46-47-45)34(25-48-22-31-16-10-7-11-17-31)52-29(3)37(27)54-43-41-40(56-44(5,6)57-41)39(30(4)53-43)55-42-28(2)38(50-24-33-20-14-9-15-21-33)35(26-51-42)49-23-32-18-12-8-13-19-32;1-26-34(45-46-44)32(24-48-21-29-15-9-6-10-16-29)53-40(47)36(26)54-42-39-38(56-43(4,5)57-39)37(28(3)52-42)55-41-27(2)35(50-23-31-19-13-8-14-20-31)33(25-51-41)49-22-30-17-11-7-12-18-30;1-18-23(32-16-21-13-9-6-10-14-21)22(31-15-20-11-7-5-8-12-20)17-33-28(18)35-24-19(2)34-27(30)26-25(24)36-29(3,4)37-26;1-11-8-14(18-12(2)15(11)16)10-17-9-13-6-4-3-5-7-13;1-2-4-5-3-1;1-2/h7-21,27-28,30,34-44,46H,22-26H2,1-6H3;7-21,27-30,34-43H,22-26H2,1-6H3;6-20,26-28,32-42,47H,21-25H2,1-5H3;5-14,18-19,22-28,30H,15-17H2,1-4H3;3-7,11-12,14-16H,8-10H2,1-2H3;1-4H2;1-2H3/b46-29-;;;;;;/t27?,28?,30?,34?,35-,36-,37?,38?,39+,40+,41?,42?,43+,44+;27?,28?,29-,30?,34?,35+,36+,37?,38?,39-,40?,41?,42-,43-;26?,27?,28?,32?,33-,34-,35?,36?,37+,38?,39?,40-,41+,42+;18?,19?,22-,23?,24+,25?,26?,27?,28+;11?,12-,14?,15?;;/m10110../s1/i;;;;;;1D
InChIKeyGNSDVMVADXBOKD-ZICVEUSHSA-N
XLogP29.45
TPSA600.02 Ų
H-Bond Donors4
H-Bond Acceptors47
Rotatable Bonds58
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003260.99
LogP ≤ 529.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1047

Analyze (4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol with MolForge

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Launch Full Analysis

Related Compounds

(4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(4R,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol;(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol
CID 159078304
(2R,5R)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-azido-4-methyl-6-(phenylmethoxymethyl)oxan-2-ol
CID 131973410
N-[(2R,5R)-3-[[(4S,7S)-7-[(2S,5R)-4-[[(2S,6S,6aS)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3-methyl-5-phenylmethoxyoxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-5-azido-4-methyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1,1,1-trichloromethanamine
CID 89368828
(2S,3S,4S,5R)-5-[[(3aR,4S,6S,7S,7aR)-2,2,6-trimethyl-7-[(2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-amine
CID 174054364
(4aR,6aS,6bS,8aS,10S)-5-methoxy-2,2,6a,6b,9,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl] (4aR,6aS,6bS,8aS,10S)-5-methoxy-2,2,6a,6b,9,9,10,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl] ethanimidate;bis[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 159946628
deuterio(fluoro)methane;4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;4-methoxy-2,2,6-trimethyl-7-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 158950524
(2S,5R)-3-methyl-5-phenylmethoxy-2-[[(4R,6R,7S)-2,2,6-trimethyl-4-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]oxan-4-ol
CID 158953309
(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(3R,4R,6S)-6-[[(3aS,7aS)-2,2-dimethyl-5,6,7-tris(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]oxy]-5-azido-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol
CID 58030359
4-azido-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 3720438
(3aS,4S,4aS,10aS,11R,11aR)-4-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5a,9a,11-trimethoxy-2,2-dimethyl-3a,4,4a,6,7,8,9,10a,11,11a-decahydro-[1,3]dioxolo[4,5-b]oxanthrene
CID 12016260
(3aR,4R,6S,7S,7aR)-2,2,6-trimethyl-4-prop-2-enoxy-7-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 101430561
[(3S,4S,6R)-6-[(3S,4R,6R)-6-[[(3aS,7aS)-2,2-dimethyl-5,6,7-tris(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]oxy]-5-azido-4-methyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methyl acetate
CID 147830955

Frequently Asked Questions

What is the IUPAC name of (4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol?
The IUPAC name of (4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol (CID 158311289) is (4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol.
What is the SMILES notation for (4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol?
The canonical SMILES for (4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol is C1CCOC1.CC1C(OCc2ccccc2)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)OC(O)C2OC(C)(C)OC21.CC1C(OCc2ccccc2)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)O[C@@H](OC2C(C)[C@@H](N=[N+]=[N-])C(COCc3ccccc3)O[C@H]2C)C2OC(C)(C)OC21.CC1C(OCc2ccccc2)[C@H](OCc2ccccc2)CO[C@H]1O[C@H]1C(C)O[C@@H](OC2C(C)[C@@H](N=[N+]=[N-])C(COCc3ccccc3)O[C@H]2O)C2OC(C)(C)OC21.CC1CC(COCc2ccccc2)O[C@@H](C)C1O.[2H]CC.[H]/N=C(/C)[C@@H]1OC(COCc2ccccc2)[C@H](N=[N+]=[N-])C(C)C1O[C@@H]1OC(C)[C@H](O[C@@H]2OC[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2C)C2OC(C)(C)OC21.
What is the InChIKey of (4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol?
The InChIKey is GNSDVMVADXBOKD-ZICVEUSHSA-N. The full InChI is InChI=1S/C45H58N4O10.C44H57N3O10.C43H55N3O11.C29H38O8.C15H22O3.C4H8O.C2H6/c1-27-36(48-49-47)34(25-50-22-31-16-10-7-11-17-31)55-39(29(3)46)38(27)56-44-42-41(58-45(5,6)59-42)40(30(4)54-44)57-43-28(2)37(52-24-33-20-14-9-15-21-33)35(26-53-43)51-23-32-18-12-8-13-19-32;1-27-36(46-47-45)34(25-48-22-31-16-10-7-11-17-31)52-29(3)37(27)54-43-41-40(56-44(5,6)57-41)39(30(4)53-43)55-42-28(2)38(50-24-33-20-14-9-15-21-33)35(26-51-42)49-23-32-18-12-8-13-19-32;1-26-34(45-46-44)32(24-48-21-29-15-9-6-10-16-29)53-40(47)36(26)54-42-39-38(56-43(4,5)57-39)37(28(3)52-42)55-41-27(2)35(50-23-31-19-13-8-14-20-31)33(25-51-41)49-22-30-17-11-7-12-18-30;1-18-23(32-16-21-13-9-6-10-14-21)22(31-15-20-11-7-5-8-12-20)17-33-28(18)35-24-19(2)34-27(30)26-25(24)36-29(3,4)37-26;1-11-8-14(18-12(2)15(11)16)10-17-9-13-6-4-3-5-7-13;1-2-4-5-3-1;1-2/h7-21,27-28,30,34-44,46H,22-26H2,1-6H3;7-21,27-30,34-43H,22-26H2,1-6H3;6-20,26-28,32-42,47H,21-25H2,1-5H3;5-14,18-19,22-28,30H,15-17H2,1-4H3;3-7,11-12,14-16H,8-10H2,1-2H3;1-4H2;1-2H3/b46-29-;;;;;;/t27?,28?,30?,34?,35-,36-,37?,38?,39+,40+,41?,42?,43+,44+;27?,28?,29-,30?,34?,35+,36+,37?,38?,39-,40?,41?,42-,43-;26?,27?,28?,32?,33-,34-,35?,36?,37+,38?,39?,40-,41+,42+;18?,19?,22-,23?,24+,25?,26?,27?,28+;11?,12-,14?,15?;;/m10110../s1/i;;;;;;1D.
What are the key properties of (4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol?
(4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol has a molecular weight of 3260.99 g/mol, XLogP of 29.45, 58 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S)-4-[(2S,5R)-5-azido-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;(2R,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-ol;1-[(2S,5R)-5-azido-4-methyl-6-(phenylmethoxymethyl)-3-[[(4S,7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]oxan-2-yl]ethanimine;deuterioethane;(2S)-2,4-dimethyl-6-(phenylmethoxymethyl)oxan-3-ol;oxolane;(7S)-2,2,6-trimethyl-7-[(2S,5R)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol is sourced from PubChem (CID 158311289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).