[(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

C182H352O19 — CID 162472021

IUPAC[(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
SMILESCCCCCCCCCCCCCCCCCCCCCC[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
InChIInChI=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
InChIKeyFVIJNLWCJACMOT-DZRZYZRZSA-N
MW2844.80 g/mol
LogP54.10
Rot. Bonds164

About [(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

[(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.

Molecular Properties

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 CID162472021
Molecular FormulaC182H352O19
Molecular Weight2844.80 g/mol
Exact Mass2842.66
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
SMILESCCCCCCCCCCCCCCCCCCCCCC[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
InChIInChI=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
InChIKeyFVIJNLWCJACMOT-DZRZYZRZSA-N
XLogP54.10
TPSA268.05 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds164
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002844.80
LogP ≤ 554.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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 (CID 162472021) 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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is 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.
What is the InChIKey of [(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?
The InChIKey is FVIJNLWCJACMOT-DZRZYZRZSA-N. The full InChI is 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.
What are the key properties of [(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?
[(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 has a molecular weight of 2844.80 g/mol, XLogP of 54.10, 164 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 162472021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).