C182H352O19 — CID 162472021
[(2R,3R,5S)-5-[[(2R,3R,5S)-3-[(2R,5R)-3,4-dihydroxy-5-[[(2R)-2-[(1R)-1-hydroxy-18-[(1R)-2-[(17R,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl]octadecyl]tetracosanoyl]oxymethyl]oxolan-2-yl]oxy-4-hydroxy-5-methoxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl (2R)-2-[(1R)-1-hydroxy-18-[(1R)-2-[(17R,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl]octadecyl]tetracosanoate (PubChem CID 162472021) has the molecular formula C182H352O19 and a molecular weight of 2844.80 g/mol. Its IUPAC name is [(2R,3R,5S)-5-[[(2R,3R,5S)-3-[(2R,5R)-3,4-dihydroxy-5-[[(2R)-2-[(1R)-1-hydroxy-18-[(1R)-2-[(17R,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl]octadecyl]tetracosanoyl]oxymethyl]oxolan-2-yl]oxy-4-hydroxy-5-methoxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl (2R)-2-[(1R)-1-hydroxy-18-[(1R)-2-[(17R,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl]octadecyl]tetracosanoate.
| Compound Name | [(2R,3R,5S)-5-[[(2R,3R,5S)-3-[(2R,5R)-3,4-dihydroxy-5-[[(2R)-2-[(1R)-1-hydroxy-18-[(1R)-2-[(17R,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl]octadecyl]tetracosanoyl]oxymethyl]oxolan-2-yl]oxy-4-hydroxy-5-methoxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl (2R)-2-[(1R)-1-hydroxy-18-[(1R)-2-[(17R,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl]octadecyl]tetracosanoate |
|---|---|
| PubChem CID | 162472021 |
| Molecular Formula | C182H352O19 |
| Molecular Weight | 2844.80 g/mol |
| Exact Mass | 2842.66 |
| IUPAC Name | [(2R,3R,5S)-5-[[(2R,3R,5S)-3-[(2R,5R)-3,4-dihydroxy-5-[[(2R)-2-[(1R)-1-hydroxy-18-[(1R)-2-[(17R,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl]octadecyl]tetracosanoyl]oxymethyl]oxolan-2-yl]oxy-4-hydroxy-5-methoxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl (2R)-2-[(1R)-1-hydroxy-18-[(1R)-2-[(17R,18S)-17-methoxy-18-methylhexatriacontyl]cyclopropyl]octadecyl]tetracosanoate |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)OC[C@H]1O[C@H](O[C@@H]2C(O)[C@@H](OC)O[C@@H]2CO[C@H]2O[C@H](COC(=O)[C@H](CCCCCCCCCCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCCCC[C@@H]3CC3CCCCCCCCCCCCCCCC[C@@H](OC)[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@H](O)C2O)C(O)C1O)[C@H](O)CCCCCCCCCCCCCCCCC[C@@H]1CC1CCCCCCCCCCCCCCCC[C@@H](OC)[C@@H](C)CCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C182H352O19/c1-10-14-18-22-26-30-34-38-42-46-48-50-52-60-74-86-98-110-122-134-146-163(165(183)148-136-124-112-100-88-76-62-54-58-70-82-94-106-118-130-142-159-152-161(159)144-132-120-108-96-84-72-64-66-78-90-102-114-126-138-150-167(192-7)157(5)140-128-116-104-92-80-68-56-44-40-36-32-28-24-20-16-12-3)178(190)195-154-169-172(185)174(187)181(198-169)197-156-171-177(176(189)180(194-9)200-171)201-182-175(188)173(186)170(199-182)155-196-179(191)164(147-135-123-111-99-87-75-61-53-51-49-47-43-39-35-31-27-23-19-15-11-2)166(184)149-137-125-113-101-89-77-63-55-59-71-83-95-107-119-131-143-160-153-162(160)145-133-121-109-97-85-73-65-67-79-91-103-115-127-139-151-168(193-8)158(6)141-129-117-105-93-81-69-57-45-41-37-33-29-25-21-17-13-4/h157-177,180-189H,10-156H2,1-9H3/t157-,158-,159+,160+,161?,162?,163+,164+,165+,166+,167+,168+,169+,170+,171+,172-,173?,174?,175?,176?,177-,180-,181-,182+/m0/s1 |
| InChIKey | FVIJNLWCJACMOT-DZRZYZRZSA-N |
| XLogP | 54.10 |
| TPSA | 268.05 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 164 |
| Heavy Atoms | 201 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2844.80 |
| LogP ≤ 5 | 54.10 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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