Current position:Home >Product >

(2R,4S,5R,6R)-2-[(2S,3S,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-3-acetamido-2-[(2S,3R,4S,5S,6R)-4-[(2R,4S,5R,6R)-5-azanyl-2-carboxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(E)-1-(octadecanoylamino)-3-oxidanyl-octadec-4-en-2-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-5-azanyl-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic

Systemtic Name:	(2R,4S,5R,6R)-2-[(2S,3S,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-3-acetamido-2-[(2S,3R,4S,5S,6R)-4-[(2R,4S,5R,6R)-5-azanyl-2-carboxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(E)-1-(octadecanoylamino)-3-oxidanyl-octadec-4-en-2-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-5-azanyl-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic
Openeye Name:	(2R,4S,5R,6R)-2-[(2S,3S,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-3-acetamido-2-[(2S,3R,4S,5S,6R)-4-[(2R,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-2-hydroxy-1-[(octadecanoylamino)methyl]heptadec-3-enoxy]tetrahydropyran-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-5-amino-4-hydroxy-6-(1,2,3-tri
CAS Name:	(2R,4S,5R,6R)-2-[[(2S,3S,4R,5R,6S)-2-[[(2R,3S,4S,5S,6S)-3-acetamido-2-[[(2S,3R,4S,5S,6R)-4-[[(2R,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanyl]oxy]-6-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-1-(1-oxooctadecylamino)octadec-4-en-2-yl]oxy-3-oxanyl]oxy]-5-hydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid
IUPAC Name:	(2R,4S,5R,6R)-2-[(2S,3S,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-3-acetamido-2-[(2S,3R,4S,5S,6R)-4-[(2R,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-1-(octadecanoylamino)octadec-4-en-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Traditional Name:	(2R,4S,5R,6R)-2-[(2S,3S,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-3-acetamido-2-[(2S,3R,4S,5S,6R)-4-[(2R,4S,5R,6R)-5-amino-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-hydroxy-1-(stearamidomethyl)heptadec-3-enoxy]-2-methylol-tetrahydropyran-3-yl]oxy-5-hydroxy-2-methylol-tetrahydropyran-3-yl]oxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-c
Formula:	C₈₀H₁₄₄N₄O₃₇
MolecularWeight:	1754.00396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(C(C=CCCCCCCCCCCCCC)O)OC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5(CC(C(C(O5)C(C(CO)O)O)N)O)C(=O)O)O)NC(=O)C)OC6(CC(C(C(O6)C(C(CO)O)O)N)O)C(=O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(C(/C=C/CCCCCCCCCCCCC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O[C@]5(C[C@@H]([C@H]([C@@H](O5)C(C(CO)O)O)N)O)C(=O)O)O)NC(=O)C)O[C@]6(C[C@@H]([C@H]([C@@H](O6)C(C(CO)O)O)N)O)C(=O)O)O)O)O

InChI

InChI=1S/C80H144N4O37/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-54(97)83-36-49(44(92)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)110-74-63(103)62(102)66(52(41-89)113-74)115-76-65(105)72(121-80(78(108)109)35-46(94)56(82)69(119-80)59(99)48(96)38-86)67(53(42-90)114-76)116-73-57(84-43(3)91)70(60(100)50(39-87)111-73)117-75-64(104)71(61(101)51(40-88)112-75)120-79(77(106)107)34-45(93)55(81)68(118-79)58(98)47(95)37-85/h30,32,44-53,55-76,85-90,92-96,98-105H,4-29,31,33-42,81-82H2,1-3H3,(H,83,97)(H,84,91)(H,106,107)(H,108,109)/b32-30+/t44?,45-,46-,47?,48?,49?,50-,51-,52+,53-,55+,56+,57-,58?,59?,60+,61+,62+,63+,64-,65-,66+,67+,68+,69+,70-,71+,72-,73+,74+,75+,76+,79+,80+/m0/s1

Other Product