(3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal

C177H256O31S4Si — CID 159436548

IUPAC(3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal
SMILESCC(C)[Si](OC[C@@H](O)C1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](C)[C@@H]1C)(C(C)C)C(C)C.CC[C@@H](C)C1OCC(OCc2ccccc2)[C@@H](C)[C@@H]1C.CC[C@@H](C)C1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](C)[C@@H]1C.CC[C@@H](O)C1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](C)[C@@H]1C.C[C@@H]1C(C(O)CO)O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@H]1C.C[C@@H]1C(OCc2ccccc2)COC([C@H](O)CO)[C@H]1C.C[C@H](CC=O)C1OCC(OCc2ccccc2)[C@@H](C)[C@@H]1C.C[C@H](CO)C1OCC(OCc2ccccc2)[C@@H](C)[C@@H]1C.O=CC[C@@H](O)C1OCC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C31H48O4SSi.C24H32O2S.C23H30O3S.C22H28O4S.C18H26O3.C18H28O2.C17H26O3.C16H24O4.C8H14O6/c1-21(2)37(22(3)4,23(5)6)34-20-28(32)29-24(7)25(8)30(33-19-26-15-11-9-12-16-26)31(35-29)36-27-17-13-10-14-18-27;1-5-17(2)22-18(3)19(4)23(25-16-20-12-8-6-9-13-20)24(26-22)27-21-14-10-7-11-15-21;1-4-20(24)21-16(2)17(3)22(25-15-18-11-7-5-8-12-18)23(26-21)27-19-13-9-6-10-14-19;1-15-16(2)21(25-14-17-9-5-3-6-10-17)22(26-20(15)19(24)13-23)27-18-11-7-4-8-12-18;1-13(9-10-19)18-15(3)14(2)17(12-21-18)20-11-16-7-5-4-6-8-16;1-5-13(2)18-15(4)14(3)17(12-20-18)19-11-16-9-7-6-8-10-16;1-12(9-18)17-14(3)13(2)16(11-20-17)19-10-15-7-5-4-6-8-15;1-11-12(2)16(14(18)8-17)20-10-15(11)19-9-13-6-4-3-5-7-13;9-2-1-4(10)8-7(13)6(12)5(11)3-14-8/h9-18,21-25,28-32H,19-20H2,1-8H3;6-15,17-19,22-24H,5,16H2,1-4H3;5-14,16-17,20-24H,4,15H2,1-3H3;3-12,15-16,19-24H,13-14H2,1-2H3;4-8,10,13-15,17-18H,9,11-12H2,1-3H3;6-10,13-15,17-18H,5,11-12H2,1-4H3;4-8,12-14,16-18H,9-11H2,1-3H3;3-7,11-12,14-18H,8-10H2,1-2H3;2,4-8,10-13H,1,3H2/t24-,25-,28+,29?,30?,31+;17-,18+,19+,22?,23?,24-;16-,17-,20+,21?,22?,23+;15-,16-,19?,20?,21?,22+;2*13-,14+,15+,17?,18?;12-,13+,14+,16?,17?;11-,12-,14+,15?,16?;4-,5?,6-,7+,8?/m010011101/s1
InChIKeyLRQMFQVQIGWLCG-JBODWOOXSA-N
MW3036.32 g/mol
LogP32.81
Rot. Bonds57

About (3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal

(3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal (PubChem CID 159436548) has the molecular formula C177H256O31S4Si and a molecular weight of 3036.32 g/mol. Its IUPAC name is (3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal.

Molecular Properties

Compound Name(3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal
PubChem CID159436548
Molecular FormulaC177H256O31S4Si
Molecular Weight3036.32 g/mol
Exact Mass3033.71
IUPAC Name(3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal
SMILESCC(C)[Si](OC[C@@H](O)C1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](C)[C@@H]1C)(C(C)C)C(C)C.CC[C@@H](C)C1OCC(OCc2ccccc2)[C@@H](C)[C@@H]1C.CC[C@@H](C)C1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](C)[C@@H]1C.CC[C@@H](O)C1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](C)[C@@H]1C.C[C@@H]1C(C(O)CO)O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@H]1C.C[C@@H]1C(OCc2ccccc2)COC([C@H](O)CO)[C@H]1C.C[C@H](CC=O)C1OCC(OCc2ccccc2)[C@@H](C)[C@@H]1C.C[C@H](CO)C1OCC(OCc2ccccc2)[C@@H](C)[C@@H]1C.O=CC[C@@H](O)C1OCC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C31H48O4SSi.C24H32O2S.C23H30O3S.C22H28O4S.C18H26O3.C18H28O2.C17H26O3.C16H24O4.C8H14O6/c1-21(2)37(22(3)4,23(5)6)34-20-28(32)29-24(7)25(8)30(33-19-26-15-11-9-12-16-26)31(35-29)36-27-17-13-10-14-18-27;1-5-17(2)22-18(3)19(4)23(25-16-20-12-8-6-9-13-20)24(26-22)27-21-14-10-7-11-15-21;1-4-20(24)21-16(2)17(3)22(25-15-18-11-7-5-8-12-18)23(26-21)27-19-13-9-6-10-14-19;1-15-16(2)21(25-14-17-9-5-3-6-10-17)22(26-20(15)19(24)13-23)27-18-11-7-4-8-12-18;1-13(9-10-19)18-15(3)14(2)17(12-21-18)20-11-16-7-5-4-6-8-16;1-5-13(2)18-15(4)14(3)17(12-20-18)19-11-16-9-7-6-8-10-16;1-12(9-18)17-14(3)13(2)16(11-20-17)19-10-15-7-5-4-6-8-15;1-11-12(2)16(14(18)8-17)20-10-15(11)19-9-13-6-4-3-5-7-13;9-2-1-4(10)8-7(13)6(12)5(11)3-14-8/h9-18,21-25,28-32H,19-20H2,1-8H3;6-15,17-19,22-24H,5,16H2,1-4H3;5-14,16-17,20-24H,4,15H2,1-3H3;3-12,15-16,19-24H,13-14H2,1-2H3;4-8,10,13-15,17-18H,9,11-12H2,1-3H3;6-10,13-15,17-18H,5,11-12H2,1-4H3;4-8,12-14,16-18H,9-11H2,1-3H3;3-7,11-12,14-18H,8-10H2,1-2H3;2,4-8,10-13H,1,3H2/t24-,25-,28+,29?,30?,31+;17-,18+,19+,22?,23?,24-;16-,17-,20+,21?,22?,23+;15-,16-,19?,20?,21?,22+;2*13-,14+,15+,17?,18?;12-,13+,14+,16?,17?;11-,12-,14+,15?,16?;4-,5?,6-,7+,8?/m010011101/s1
InChIKeyLRQMFQVQIGWLCG-JBODWOOXSA-N
XLogP32.81
TPSA422.81 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds57
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003036.32
LogP ≤ 532.81
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate
CID 91513562
[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl 2-[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]acetate
CID 157352922
(3R,4R,6S)-2-ethyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;(3R,4R,6S)-2-ethyl-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane;(3R,4R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-ol;[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methanol;methyl (3S,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate;methyl (3S,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane-2-carboxylate
CID 158445977
methyl 2-[(3R,4R,6S)-3-hydroxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]acetate;methyl 2-[(3R,4R,6S)-3-methyl-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]acetate
CID 159696131
1-[(1R,3S,5R,6S,8R,9S,10S,11S,14S,15S)-9-(benzenesulfonylmethyl)-13-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypropyl]-10,13-dihydroxy-14,15-dimethyl-5-phenylmethoxy-2,7,12-trioxatricyclo[9.4.0.03,8]pentadecan-6-yl]propan-2-one
CID 11170439
(2S,5S,6S)-6-[(2S,3R,4aS,6R,7S,8S,9S,9aR)-9-(benzenesulfonylmethyl)-7,8-dihydroxy-2-(2-oxopropyl)-3-phenylmethoxy-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-6-yl]-1-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-phenylmethoxyheptan-4-one
CID 11228300

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal?
The IUPAC name of (3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal (CID 159436548) is (3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal.
What is the SMILES notation for (3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal?
The canonical SMILES for (3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal is CC(C)[Si](OC[C@@H](O)C1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](C)[C@@H]1C)(C(C)C)C(C)C.CC[C@@H](C)C1OCC(OCc2ccccc2)[C@@H](C)[C@@H]1C.CC[C@@H](C)C1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](C)[C@@H]1C.CC[C@@H](O)C1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](C)[C@@H]1C.C[C@@H]1C(C(O)CO)O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@H]1C.C[C@@H]1C(OCc2ccccc2)COC([C@H](O)CO)[C@H]1C.C[C@H](CC=O)C1OCC(OCc2ccccc2)[C@@H](C)[C@@H]1C.C[C@H](CO)C1OCC(OCc2ccccc2)[C@@H](C)[C@@H]1C.O=CC[C@@H](O)C1OCC(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal?
The InChIKey is LRQMFQVQIGWLCG-JBODWOOXSA-N. The full InChI is InChI=1S/C31H48O4SSi.C24H32O2S.C23H30O3S.C22H28O4S.C18H26O3.C18H28O2.C17H26O3.C16H24O4.C8H14O6/c1-21(2)37(22(3)4,23(5)6)34-20-28(32)29-24(7)25(8)30(33-19-26-15-11-9-12-16-26)31(35-29)36-27-17-13-10-14-18-27;1-5-17(2)22-18(3)19(4)23(25-16-20-12-8-6-9-13-20)24(26-22)27-21-14-10-7-11-15-21;1-4-20(24)21-16(2)17(3)22(25-15-18-11-7-5-8-12-18)23(26-21)27-19-13-9-6-10-14-19;1-15-16(2)21(25-14-17-9-5-3-6-10-17)22(26-20(15)19(24)13-23)27-18-11-7-4-8-12-18;1-13(9-10-19)18-15(3)14(2)17(12-21-18)20-11-16-7-5-4-6-8-16;1-5-13(2)18-15(4)14(3)17(12-20-18)19-11-16-9-7-6-8-10-16;1-12(9-18)17-14(3)13(2)16(11-20-17)19-10-15-7-5-4-6-8-15;1-11-12(2)16(14(18)8-17)20-10-15(11)19-9-13-6-4-3-5-7-13;9-2-1-4(10)8-7(13)6(12)5(11)3-14-8/h9-18,21-25,28-32H,19-20H2,1-8H3;6-15,17-19,22-24H,5,16H2,1-4H3;5-14,16-17,20-24H,4,15H2,1-3H3;3-12,15-16,19-24H,13-14H2,1-2H3;4-8,10,13-15,17-18H,9,11-12H2,1-3H3;6-10,13-15,17-18H,5,11-12H2,1-4H3;4-8,12-14,16-18H,9-11H2,1-3H3;3-7,11-12,14-18H,8-10H2,1-2H3;2,4-8,10-13H,1,3H2/t24-,25-,28+,29?,30?,31+;17-,18+,19+,22?,23?,24-;16-,17-,20+,21?,22?,23+;15-,16-,19?,20?,21?,22+;2*13-,14+,15+,17?,18?;12-,13+,14+,16?,17?;11-,12-,14+,15?,16?;4-,5?,6-,7+,8?/m010011101/s1.
What are the key properties of (3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal?
(3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal has a molecular weight of 3036.32 g/mol, XLogP of 32.81, 57 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxyoxane;(3S,4S,6R)-2-[(2R)-butan-2-yl]-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxane;(3R)-3-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]butanal;(1R)-1-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]ethane-1,2-diol;(2R)-2-[(3S,4S)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]propan-1-ol;1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]propan-1-ol;(1R)-1-[(3S,4S,6R)-3,4-dimethyl-5-phenylmethoxy-6-phenylsulfanyloxan-2-yl]-2-tri(propan-2-yl)silyloxyethanol;(3R)-3-hydroxy-3-[(3S,4R)-3,4,5-trihydroxyoxan-2-yl]propanal is sourced from PubChem (CID 159436548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).