[2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane

C106H188N4O74 — CID 159477757

IUPAC[2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane
SMILESC.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(O)C1O.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3(OC=O)CC(O)C(C)C(C(O)C(O)CO)O3)C2O)C1O.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(OC2OC(COC3(OC=O)CC(O)C(C)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O.CC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/2C31H53NO22.C21H37NO15.C15H27NO10.C7H14O5.CH4/c1-10-13(38)4-31(48-9-36,54-26(10)19(40)14(39)5-33)47-8-17-21(42)23(44)25(46)30(51-17)53-28-16(7-35)50-29(18(22(28)43)32-12(3)37)52-27-11(2)49-15(6-34)20(41)24(27)45;1-10-13(39)4-31(47-9-37,53-25(10)19(41)14(40)5-33)54-28-21(43)16(7-35)49-30(24(28)46)52-27-17(8-36)50-29(18(22(27)44)32-12(3)38)51-26-11(2)48-15(6-34)20(42)23(26)45;1-6-18(16(31)13(28)8(3-23)33-6)36-20-11(22-7(2)26)14(29)19(10(5-25)35-20)37-21-17(32)15(30)12(27)9(4-24)34-21;1-5-14(13(23)11(21)7(3-17)24-5)26-15-9(16-6(2)19)12(22)10(20)8(4-18)25-15;1-3-5(9)7(11)6(10)4(2-8)12-3;/h9-11,13-30,33-35,38-46H,4-8H2,1-3H3,(H,32,37);9-11,13-30,33-36,39-46H,4-8H2,1-3H3,(H,32,38);6,8-21,23-25,27-32H,3-5H2,1-2H3,(H,22,26);5,7-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19);3-11H,2H2,1H3;1H4
InChIKeyLWPKIGLCQULGFM-UHFFFAOYSA-N
MW2702.62 g/mol
LogP-28.07
Rot. Bonds44

About [2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane

[2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane (PubChem CID 159477757) has the molecular formula C106H188N4O74 and a molecular weight of 2702.62 g/mol. Its IUPAC name is [2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane.

Molecular Properties

Compound Name[2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane
PubChem CID159477757
Molecular FormulaC106H188N4O74
Molecular Weight2702.62 g/mol
Exact Mass2701.11
IUPAC Name[2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane
SMILESC.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(O)C1O.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3(OC=O)CC(O)C(C)C(C(O)C(O)CO)O3)C2O)C1O.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(OC2OC(COC3(OC=O)CC(O)C(C)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O.CC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/2C31H53NO22.C21H37NO15.C15H27NO10.C7H14O5.CH4/c1-10-13(38)4-31(48-9-36,54-26(10)19(40)14(39)5-33)47-8-17-21(42)23(44)25(46)30(51-17)53-28-16(7-35)50-29(18(22(28)43)32-12(3)37)52-27-11(2)49-15(6-34)20(41)24(27)45;1-10-13(39)4-31(47-9-37,53-25(10)19(41)14(40)5-33)54-28-21(43)16(7-35)49-30(24(28)46)52-27-17(8-36)50-29(18(22(27)44)32-12(3)38)51-26-11(2)48-15(6-34)20(42)23(26)45;1-6-18(16(31)13(28)8(3-23)33-6)36-20-11(22-7(2)26)14(29)19(10(5-25)35-20)37-21-17(32)15(30)12(27)9(4-24)34-21;1-5-14(13(23)11(21)7(3-17)24-5)26-15-9(16-6(2)19)12(22)10(20)8(4-18)25-15;1-3-5(9)7(11)6(10)4(2-8)12-3;/h9-11,13-30,33-35,38-46H,4-8H2,1-3H3,(H,32,37);9-11,13-30,33-36,39-46H,4-8H2,1-3H3,(H,32,38);6,8-21,23-25,27-32H,3-5H2,1-2H3,(H,22,26);5,7-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19);3-11H,2H2,1H3;1H4
InChIKeyLWPKIGLCQULGFM-UHFFFAOYSA-N
XLogP-28.07
TPSA1251.18 Ų
H-Bond Donors47
H-Bond Acceptors74
Rotatable Bonds44
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002702.62
LogP ≤ 5-28.07
H-Bond Donors ≤ 547
H-Bond Acceptors ≤ 1074

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane with MolForge

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Related Compounds

[(2S,4R,5R)-2-[(2S,4S,5S)-2-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate;[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane
CID 159477755
[(2S,4R,5R)-2-[(2S,4S)-2-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[(2R,4R,5R)-2-[[(4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 157406984
[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(2S,5S,6S)-2-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;(3S,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 160737815
[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,6S)-5-acetamido-6-[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate
CID 122526998
[(5R)-2-[[(3R,5S)-6-[(3S)-5-acetamido-6-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate
CID 89089211
[(2S,4R,5R)-2-[(2S,4S,5S)-2-[(2S,3S,6S)-5-acetamido-6-[(2S,4S,5S)-2-[[(3S,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate
CID 118463586
[(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2S,4S,5R)-2-[(3R,4R,6R)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,5R,6R)-3-[(2S,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxan-2-yl] formate
CID 58567132
[(2S,4R,5R)-2-[(2S,4S,5S)-2-[(2S,3S,6S)-5-acetamido-6-[(2S,4S,5S)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3-[(2S,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate
CID 118476732
[(2S,4R,5R)-2-[(2S,4S,5S)-2-[(3S,4R,6S)-5-acetamido-6-[(2R,5S)-2-[(2S,4S,5R)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate;[(2S,4R,5R)-2-[(2S,4S,5S)-2-[(3S,4R,6S)-5-acetamido-6-[(2R,5S)-2-[(2S,4S,5R)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate
CID 159499858
[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2S,4S,5S)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3-[(2S,4R,5S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate;[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-6-[(2R,5S)-2-[(2S,4S,5R)-2-[(3S,4R,6S)-5-acetamido-6-[(3S,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,4S,5S)-3-[(2S,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate;methane
CID 161087410
[(2R,4S,5R)-2-[[(3R,4S,6S)-6-[(2R,3S,6R)-5-acetamido-6-[(2R,4S,5R)-2-[[(3S,4S,6S)-6-[(3R,4R,6S)-5-acetamido-6-[(3R,4R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate
CID 58567128
[(2R,4R,5R)-2-[[(3R,4S,6S)-6-[(2S,3S,6S)-5-acetamido-6-[(2S,4S,5S)-2-[[(3R,5R,6S)-6-[(3S,5S,6S)-5-acetamido-6-[(3S,5S,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,5S)-3-[(2S,4R,5S)-3-acetamido-5-[(2S,4S,5R)-6-[[(2R,4R,5R)-2-formyloxy-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] formate
CID 158829757

Frequently Asked Questions

What is the IUPAC name of [2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane?
The IUPAC name of [2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane (CID 159477757) is [2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane.
What is the SMILES notation for [2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane?
The canonical SMILES for [2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane is C.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(O)C1O.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(OC2OC(CO)C(O)C(OC3(OC=O)CC(O)C(C)C(C(O)C(O)CO)O3)C2O)C1O.CC(=O)NC1C(OC2C(C)OC(CO)C(O)C2O)OC(CO)C(OC2OC(COC3(OC=O)CC(O)C(C)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O.CC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of [2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane?
The InChIKey is LWPKIGLCQULGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H53NO22.C21H37NO15.C15H27NO10.C7H14O5.CH4/c1-10-13(38)4-31(48-9-36,54-26(10)19(40)14(39)5-33)47-8-17-21(42)23(44)25(46)30(51-17)53-28-16(7-35)50-29(18(22(28)43)32-12(3)37)52-27-11(2)49-15(6-34)20(41)24(27)45;1-10-13(39)4-31(47-9-37,53-25(10)19(41)14(40)5-33)54-28-21(43)16(7-35)49-30(24(28)46)52-27-17(8-36)50-29(18(22(27)44)32-12(3)38)51-26-11(2)48-15(6-34)20(42)23(26)45;1-6-18(16(31)13(28)8(3-23)33-6)36-20-11(22-7(2)26)14(29)19(10(5-25)35-20)37-21-17(32)15(30)12(27)9(4-24)34-21;1-5-14(13(23)11(21)7(3-17)24-5)26-15-9(16-6(2)19)12(22)10(20)8(4-18)25-15;1-3-5(9)7(11)6(10)4(2-8)12-3;/h9-11,13-30,33-35,38-46H,4-8H2,1-3H3,(H,32,37);9-11,13-30,33-36,39-46H,4-8H2,1-3H3,(H,32,38);6,8-21,23-25,27-32H,3-5H2,1-2H3,(H,22,26);5,7-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19);3-11H,2H2,1H3;1H4.
What are the key properties of [2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane?
[2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane has a molecular weight of 2702.62 g/mol, XLogP of -28.07, 44 rotatable bonds, 47 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[2-[[6-[5-acetamido-6-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide;2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;methane is sourced from PubChem (CID 159477757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).