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name Structure Reference Source Properties Activities Metabolism

(2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyhenicosan-2-yl]-2-hydroxyicosanamide

AlkaPlorer ID: AK169231

Synonym: None

IUPAC Name: (2R)-N-[(2S,3S,4R)-1-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-3-acetamido-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyhenicosan-2-yl]-2-hydroxyicosanamide

Structure

SMILES: CCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H]([C@H](C)O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCCC

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InChI: InChI=1S/C67H126N2O24/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-46(74)63(85)69-44(51(75)45(73)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-86-67-62(57(81)52(76)47(38-70)89-67)93-66-59(83)56(80)54(78)49(91-66)40-87-64-50(68-43(4)72)55(79)53(77)48(90-64)41-88-65-60(84)58(82)61(92-65)42(3)71/h42,44-62,64-67,70-71,73-84H,5-41H2,1-4H3,(H,68,72)(H,69,85)/t42-,44-,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-,55+,56-,57-,58-,59+,60-,61+,62+,64+,65-,66+,67-/m0/s1

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InChIKey: CXIVPSVWMXPXIN-OULMLEDTSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 1343.7350000000013

TPSA？: 415.26

MolLogP？: 2.9275000000000064

Number of H-Donors: 16

Number of H-Acceptors: 24

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information