(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane

C199H425I3O28Si21 — CID 158328798

IUPAC(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane
SMILESC1CCOC1.C=C.C=CC[C@@H]1O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.CC.CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)O[C@@H](CCCO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C.CCCC[C@@H]1O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1C.CCCC[C@@H]1O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1C.CCCC[C@@H]1O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1CCCO
InChIInChI=1S/C34H74O4Si4.C33H72O5Si4.C33H70O4Si4.2C31H65IO4Si3.C29H61IO6Si3.C4H8O.C2H6.C2H4/c1-21-22-23-27-26(2)29(37-41(17,18)33(6,7)8)31(38-42(19,20)34(9,10)11)30(35-27)28(24-25-39(12,13)14)36-40(15,16)32(3,4)5;1-25-26(21-20-23-34)35-29(27(22-24-39(11,12)13)36-40(14,15)31(2,3)4)30(38-42(18,19)33(8,9)10)28(25)37-41(16,17)32(5,6)7;1-21-22-26-25(2)28(36-40(17,18)32(6,7)8)30(37-41(19,20)33(9,10)11)29(34-26)27(23-24-38(12,13)14)35-39(15,16)31(3,4)5;2*1-18-19-20-24-23(2)26(35-38(14,15)30(6,7)8)28(36-39(16,17)31(9,10)11)27(33-24)25(21-22-32)34-37(12,13)29(3,4)5;1-27(2,3)37(10,11)34-22(18-19-30)24-26(36-39(14,15)29(7,8)9)25(35-38(12,13)28(4,5)6)23(32)21(33-24)17-16-20-31;1-2-4-5-3-1;2*1-2/h24-31H,21-23H2,1-20H3;22,24-30,34H,20-21,23H2,1-19H3;21,23-30H,1,22H2,2-20H3;2*21-28H,18-20H2,1-17H3;18-19,21-26,31-32H,16-17,20H2,1-15H3;1-4H2;1-2H3;1-2H2/b25-24+;24-22+;24-23+;2*22-21+;19-18+;;;/t26-,27-,28-,29-,30-,31-;2*25-,26-,27-,28-,29-,30-;2*23?,24-,25-,26-,27-,28-;21-,22-,23-,24-,25-,26+;;;/m000000.../s1
InChIKeyGPTBWMAZWABXLL-PPWVBJTQSA-N
MW4237.08 g/mol
LogP63.56
Rot. Bonds68

About (2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane

(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane (PubChem CID 158328798) has the molecular formula C199H425I3O28Si21 and a molecular weight of 4237.08 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane.

Molecular Properties

Compound Name(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane
PubChem CID158328798
Molecular FormulaC199H425I3O28Si21
Molecular Weight4237.08 g/mol
Exact Mass4232.41
IUPAC Name(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane
SMILESC1CCOC1.C=C.C=CC[C@@H]1O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.CC.CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)O[C@@H](CCCO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C.CCCC[C@@H]1O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1C.CCCC[C@@H]1O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1C.CCCC[C@@H]1O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1CCCO
InChIInChI=1S/C34H74O4Si4.C33H72O5Si4.C33H70O4Si4.2C31H65IO4Si3.C29H61IO6Si3.C4H8O.C2H6.C2H4/c1-21-22-23-27-26(2)29(37-41(17,18)33(6,7)8)31(38-42(19,20)34(9,10)11)30(35-27)28(24-25-39(12,13)14)36-40(15,16)32(3,4)5;1-25-26(21-20-23-34)35-29(27(22-24-39(11,12)13)36-40(14,15)31(2,3)4)30(38-42(18,19)33(8,9)10)28(25)37-41(16,17)32(5,6)7;1-21-22-26-25(2)28(36-40(17,18)32(6,7)8)30(37-41(19,20)33(9,10)11)29(34-26)27(23-24-38(12,13)14)35-39(15,16)31(3,4)5;2*1-18-19-20-24-23(2)26(35-38(14,15)30(6,7)8)28(36-39(16,17)31(9,10)11)27(33-24)25(21-22-32)34-37(12,13)29(3,4)5;1-27(2,3)37(10,11)34-22(18-19-30)24-26(36-39(14,15)29(7,8)9)25(35-38(12,13)28(4,5)6)23(32)21(33-24)17-16-20-31;1-2-4-5-3-1;2*1-2/h24-31H,21-23H2,1-20H3;22,24-30,34H,20-21,23H2,1-19H3;21,23-30H,1,22H2,2-20H3;2*21-28H,18-20H2,1-17H3;18-19,21-26,31-32H,16-17,20H2,1-15H3;1-4H2;1-2H3;1-2H2/b25-24+;24-22+;24-23+;2*22-21+;19-18+;;;/t26-,27-,28-,29-,30-,31-;2*25-,26-,27-,28-,29-,30-;2*23?,24-,25-,26-,27-,28-;21-,22-,23-,24-,25-,26+;;;/m000000.../s1
InChIKeyGPTBWMAZWABXLL-PPWVBJTQSA-N
XLogP63.56
TPSA291.44 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds68
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004237.08
LogP ≤ 563.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze (2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane?
The IUPAC name of (2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane (CID 158328798) is (2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane.
What is the SMILES notation for (2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane?
The canonical SMILES for (2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane is C1CCOC1.C=C.C=CC[C@@H]1O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.CC.CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)O[C@@H](CCCO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C.CCCC[C@@H]1O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1C.CCCC[C@@H]1O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1C.CCCC[C@@H]1O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1CCCO.
What is the InChIKey of (2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane?
The InChIKey is GPTBWMAZWABXLL-PPWVBJTQSA-N. The full InChI is InChI=1S/C34H74O4Si4.C33H72O5Si4.C33H70O4Si4.2C31H65IO4Si3.C29H61IO6Si3.C4H8O.C2H6.C2H4/c1-21-22-23-27-26(2)29(37-41(17,18)33(6,7)8)31(38-42(19,20)34(9,10)11)30(35-27)28(24-25-39(12,13)14)36-40(15,16)32(3,4)5;1-25-26(21-20-23-34)35-29(27(22-24-39(11,12)13)36-40(14,15)31(2,3)4)30(38-42(18,19)33(8,9)10)28(25)37-41(16,17)32(5,6)7;1-21-22-26-25(2)28(36-40(17,18)32(6,7)8)30(37-41(19,20)33(9,10)11)29(34-26)27(23-24-38(12,13)14)35-39(15,16)31(3,4)5;2*1-18-19-20-24-23(2)26(35-38(14,15)30(6,7)8)28(36-39(16,17)31(9,10)11)27(33-24)25(21-22-32)34-37(12,13)29(3,4)5;1-27(2,3)37(10,11)34-22(18-19-30)24-26(36-39(14,15)29(7,8)9)25(35-38(12,13)28(4,5)6)23(32)21(33-24)17-16-20-31;1-2-4-5-3-1;2*1-2/h24-31H,21-23H2,1-20H3;22,24-30,34H,20-21,23H2,1-19H3;21,23-30H,1,22H2,2-20H3;2*21-28H,18-20H2,1-17H3;18-19,21-26,31-32H,16-17,20H2,1-15H3;1-4H2;1-2H3;1-2H2/b25-24+;24-22+;24-23+;2*22-21+;19-18+;;;/t26-,27-,28-,29-,30-,31-;2*25-,26-,27-,28-,29-,30-;2*23?,24-,25-,26-,27-,28-;21-,22-,23-,24-,25-,26+;;;/m000000.../s1.
What are the key properties of (2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane?
(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane has a molecular weight of 4237.08 g/mol, XLogP of 63.56, 68 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol;3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane;bis(tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane);tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane;ethane;ethene;oxolane is sourced from PubChem (CID 158328798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).