tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate

C165H259NO53 — CID 167688698

IUPACtris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
SMILESCC(C)OC(=O)/C=C/CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.CCOC(=O)/C=C\CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.CCOC(=O)C1CC1CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)N1CCCC1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCC1CCCCC1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C21H30O6.C20H34O6.3C20H28O6.C17H29NO5.2C16H28O6.C15H26O6/c1-15(26-21-19(23)14-18(22)16(2)27-21)8-6-7-11-20(24)25-13-12-17-9-4-3-5-10-17;4*1-14(25-20-18(22)12-17(21)15(2)26-20)8-6-7-11-19(23)24-13-16-9-4-3-5-10-16;1-12(22-17-15(20)11-14(19)13(2)23-17)7-3-4-8-16(21)18-9-5-6-10-18;1-4-20-15(19)12-7-11(12)6-5-9(2)21-16-14(18)8-13(17)10(3)22-16;1-10(2)20-15(19)8-6-5-7-11(3)21-16-14(18)9-13(17)12(4)22-16;1-4-19-14(18)8-6-5-7-10(2)20-15-13(17)9-12(16)11(3)21-15/h3-5,7,9-11,15-16,18-19,21-23H,6,8,12-14H2,1-2H3;7,11,14-18,20-22H,3-6,8-10,12-13H2,1-2H3;3*3-5,7,9-11,14-15,17-18,20-22H,6,8,12-13H2,1-2H3;4,8,12-15,17,19-20H,3,5-7,9-11H2,1-2H3;9-14,16-18H,4-8H2,1-3H3;6,8,10-14,16-18H,5,7,9H2,1-4H3;6,8,10-13,15-17H,4-5,7,9H2,1-3H3/b5*11-7+;8-4+;;8-6+;8-6-/t15-,16+,18-,19-,21-;4*14-,15+,17-,18-,20-;12-,13+,14-,15-,17-;9-,10+,11?,12?,13-,14-,16-;11-,12+,13-,14-,16-;10-,11+,12-,13-,15-/m111111111/s1
InChIKeyWPGRVBQNRNWLFZ-XJRPARJFSA-N
MW3104.84 g/mol
LogP17.18
Rot. Bonds68

About tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate

tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate (PubChem CID 167688698) has the molecular formula C165H259NO53 and a molecular weight of 3104.84 g/mol. Its IUPAC name is tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate.

Molecular Properties

Compound Nametris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
PubChem CID167688698
Molecular FormulaC165H259NO53
Molecular Weight3104.84 g/mol
Exact Mass3102.76
IUPAC Nametris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
SMILESCC(C)OC(=O)/C=C/CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.CCOC(=O)/C=C\CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.CCOC(=O)C1CC1CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)N1CCCC1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCC1CCCCC1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C21H30O6.C20H34O6.3C20H28O6.C17H29NO5.2C16H28O6.C15H26O6/c1-15(26-21-19(23)14-18(22)16(2)27-21)8-6-7-11-20(24)25-13-12-17-9-4-3-5-10-17;4*1-14(25-20-18(22)12-17(21)15(2)26-20)8-6-7-11-19(23)24-13-16-9-4-3-5-10-16;1-12(22-17-15(20)11-14(19)13(2)23-17)7-3-4-8-16(21)18-9-5-6-10-18;1-4-20-15(19)12-7-11(12)6-5-9(2)21-16-14(18)8-13(17)10(3)22-16;1-10(2)20-15(19)8-6-5-7-11(3)21-16-14(18)9-13(17)12(4)22-16;1-4-19-14(18)8-6-5-7-10(2)20-15-13(17)9-12(16)11(3)21-15/h3-5,7,9-11,15-16,18-19,21-23H,6,8,12-14H2,1-2H3;7,11,14-18,20-22H,3-6,8-10,12-13H2,1-2H3;3*3-5,7,9-11,14-15,17-18,20-22H,6,8,12-13H2,1-2H3;4,8,12-15,17,19-20H,3,5-7,9-11H2,1-2H3;9-14,16-18H,4-8H2,1-3H3;6,8,10-14,16-18H,5,7,9H2,1-4H3;6,8,10-13,15-17H,4-5,7,9H2,1-3H3/b5*11-7+;8-4+;;8-6+;8-6-/t15-,16+,18-,19-,21-;4*14-,15+,17-,18-,20-;12-,13+,14-,15-,17-;9-,10+,11?,12?,13-,14-,16-;11-,12+,13-,14-,16-;10-,11+,12-,13-,15-/m111111111/s1
InChIKeyWPGRVBQNRNWLFZ-XJRPARJFSA-N
XLogP17.18
TPSA760.99 Ų
H-Bond Donors18
H-Bond Acceptors53
Rotatable Bonds68
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003104.84
LogP ≤ 517.18
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1053

Analyze tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cis-ethyl (1S,2S)-2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2R)-2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;ethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;ethyl (E,6R)-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;trans-ethyl (1S,2R)-2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate
CID 167547197
2-phenylethyl (E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155384317
cyclohexylmethyl (E)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 175257334
cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155326811
ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate
CID 155320900
pyridin-3-ylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155326813
cis-2-ethylbutyl (1R,2R)-2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate
CID 155725463
propan-2-yl (E,6R)-6-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155725500
(E)-8-[(2R,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxynon-4-en-3-one
CID 167492292
tert-butyl (E,6R)-6-[(3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 174031490
tert-butyl (Z,6R)-6-[(3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155725513
(E,6R)-6-[(3R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-methylhept-2-enamide
CID 155735475

Frequently Asked Questions

What is the IUPAC name of tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate?
The IUPAC name of tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate (CID 167688698) is tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate.
What is the SMILES notation for tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate?
The canonical SMILES for tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate is CC(C)OC(=O)/C=C/CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.CCOC(=O)/C=C\CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.CCOC(=O)C1CC1CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)N1CCCC1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCC1CCCCC1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.C[C@H](CC/C=C/C(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O.
What is the InChIKey of tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate?
The InChIKey is WPGRVBQNRNWLFZ-XJRPARJFSA-N. The full InChI is InChI=1S/C21H30O6.C20H34O6.3C20H28O6.C17H29NO5.2C16H28O6.C15H26O6/c1-15(26-21-19(23)14-18(22)16(2)27-21)8-6-7-11-20(24)25-13-12-17-9-4-3-5-10-17;4*1-14(25-20-18(22)12-17(21)15(2)26-20)8-6-7-11-19(23)24-13-16-9-4-3-5-10-16;1-12(22-17-15(20)11-14(19)13(2)23-17)7-3-4-8-16(21)18-9-5-6-10-18;1-4-20-15(19)12-7-11(12)6-5-9(2)21-16-14(18)8-13(17)10(3)22-16;1-10(2)20-15(19)8-6-5-7-11(3)21-16-14(18)9-13(17)12(4)22-16;1-4-19-14(18)8-6-5-7-10(2)20-15-13(17)9-12(16)11(3)21-15/h3-5,7,9-11,15-16,18-19,21-23H,6,8,12-14H2,1-2H3;7,11,14-18,20-22H,3-6,8-10,12-13H2,1-2H3;3*3-5,7,9-11,14-15,17-18,20-22H,6,8,12-13H2,1-2H3;4,8,12-15,17,19-20H,3,5-7,9-11H2,1-2H3;9-14,16-18H,4-8H2,1-3H3;6,8,10-14,16-18H,5,7,9H2,1-4H3;6,8,10-13,15-17H,4-5,7,9H2,1-3H3/b5*11-7+;8-4+;;8-6+;8-6-/t15-,16+,18-,19-,21-;4*14-,15+,17-,18-,20-;12-,13+,14-,15-,17-;9-,10+,11?,12?,13-,14-,16-;11-,12+,13-,14-,16-;10-,11+,12-,13-,15-/m111111111/s1.
What are the key properties of tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate?
tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate has a molecular weight of 3104.84 g/mol, XLogP of 17.18, 68 rotatable bonds, 18 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for tris(benzyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate);cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1-pyrrolidin-1-ylhept-2-en-1-one;ethyl 2-[(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutyl]cyclopropane-1-carboxylate;ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;2-phenylethyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate;propan-2-yl (E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate is sourced from PubChem (CID 167688698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).