N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide

C99H190N2O45 — CID 161036288

IUPACN-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide
SMILES[C-]#[N+]C(C)(CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)CCCCCCO[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1NC(C)=O)C(C)C
InChIInChI=1S/C99H190N2O45/c1-90(2)99(4,100-5)14-13-92(103)12-10-15-108-17-18-109-19-20-110-21-22-111-23-24-112-25-26-113-27-28-114-29-30-115-31-32-116-33-34-117-35-36-118-37-38-119-39-40-120-41-42-121-43-44-122-45-46-123-47-48-124-49-50-125-51-52-126-53-54-127-55-56-128-57-58-129-59-60-130-61-62-131-63-64-132-65-66-133-67-68-134-69-70-135-71-72-136-73-74-137-75-76-138-77-78-139-79-80-140-81-82-141-83-84-142-85-86-143-87-88-144-89-93(104)11-8-6-7-9-16-145-98-94(101-91(3)102)95(105)96(106)97(107)146-98/h90,94-98,105-107H,6-89H2,1-4H3,(H,101,102)/t94-,95-,96-,97+,98-,99?/m1/s1
InChIKeyYEQAPEPKTMOZKD-FNVOIFKMSA-N
MW2128.58 g/mol
LogP2.50
Rot. Bonds127

About N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide

N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide (PubChem CID 161036288) has the molecular formula C99H190N2O45 and a molecular weight of 2128.58 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide
PubChem CID161036288
Molecular FormulaC99H190N2O45
Molecular Weight2128.58 g/mol
Exact Mass2127.26
IUPAC NameN-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide
SMILES[C-]#[N+]C(C)(CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)CCCCCCO[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1NC(C)=O)C(C)C
InChIInChI=1S/C99H190N2O45/c1-90(2)99(4,100-5)14-13-92(103)12-10-15-108-17-18-109-19-20-110-21-22-111-23-24-112-25-26-113-27-28-114-29-30-115-31-32-116-33-34-117-35-36-118-37-38-119-39-40-120-41-42-121-43-44-122-45-46-123-47-48-124-49-50-125-51-52-126-53-54-127-55-56-128-57-58-129-59-60-130-61-62-131-63-64-132-65-66-133-67-68-134-69-70-135-71-72-136-73-74-137-75-76-138-77-78-139-79-80-140-81-82-141-83-84-142-85-86-143-87-88-144-89-93(104)11-8-6-7-9-16-145-98-94(101-91(3)102)95(105)96(106)97(107)146-98/h90,94-98,105-107H,6-89H2,1-4H3,(H,101,102)/t94-,95-,96-,97+,98-,99?/m1/s1
InChIKeyYEQAPEPKTMOZKD-FNVOIFKMSA-N
XLogP2.50
TPSA488.26 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds127
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002128.58
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide with MolForge

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Related Compounds

N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide
CID 158972009
N,N'-bis[2-[2-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-2-oxoethoxy]ethyl]-4-[3-[2-[2-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentylamino]-2-oxoethoxy]ethylamino]-3-oxopropyl]-4-[3-[2-[5-[2-[5-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]-4-oxopentoxy]ethoxy]-4-oxopentoxy]ethoxy]-2-oxopropyl]heptanediamide
CID 159632310
N-[(3R,4R,5R,6S)-4,5,6-trihydroxy-2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]oxan-3-yl]acetamide
CID 162711179
N-[(2R,4R,5R)-2-[(2R,4S,5S)-2-[6-(2-heptadecoxyethoxy)-5-oxohexoxy]-5-hydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 123773643
N-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[2-[2-[2-[2-(10-sulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]acetamide
CID 88559411
N-[2-[13-[2-[[13-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3,9-dioxotridecyl]-propan-2-ylamino]ethoxy]-5,11-dioxotridecoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 163922444
N-[(2R,3S,6R)-6-[5-[3-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 162472455
10-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-N-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]-4-[6-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]-3-oxohexyl]-4-[(9-methoxy-5-oxononanoyl)amino]-7-oxodecanamide
CID 157076861
N-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butyl]-5-[4-[2-[4-[4-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]butylamino]-4-oxobutoxy]ethyl]-6-[3-[5-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]pentylamino]-3-oxopropoxy]-4-(propan-2-ylamino)hexoxy]pentanamide
CID 165380192
3-[2-[[11-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxoundecoxy]methyl]-2-[[7-[3-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoylamino]-3-oxoheptoxy]methyl]-4-methylpentoxy]-N-[7-[(2R,3S,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxoheptyl]propanamide
CID 159474651
1-O-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl] 5-O-[2-(pyridin-2-yldisulfanyl)ethyl] 4-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[9-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-isocyano-2-methyl-5-oxooctyl]-2,2,4-trimethylpentanedioate
CID 161401578
N-[3-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]-2-methylpropyl]-5-(2-hydroxyethoxy)pentanamide
CID 126718517

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide (CID 161036288) is N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide is [C-]#[N+]C(C)(CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)CCCCCCO[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1NC(C)=O)C(C)C.
What is the InChIKey of N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide?
The InChIKey is YEQAPEPKTMOZKD-FNVOIFKMSA-N. The full InChI is InChI=1S/C99H190N2O45/c1-90(2)99(4,100-5)14-13-92(103)12-10-15-108-17-18-109-19-20-110-21-22-111-23-24-112-25-26-113-27-28-114-29-30-115-31-32-116-33-34-117-35-36-118-37-38-119-39-40-120-41-42-121-43-44-122-45-46-123-47-48-124-49-50-125-51-52-126-53-54-127-55-56-128-57-58-129-59-60-130-61-62-131-63-64-132-65-66-133-67-68-134-69-70-135-71-72-136-73-74-137-75-76-138-77-78-139-79-80-140-81-82-141-83-84-142-85-86-143-87-88-144-89-93(104)11-8-6-7-9-16-145-98-94(101-91(3)102)95(105)96(106)97(107)146-98/h90,94-98,105-107H,6-89H2,1-4H3,(H,101,102)/t94-,95-,96-,97+,98-,99?/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide?
N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide has a molecular weight of 2128.58 g/mol, XLogP of 2.50, 127 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-[8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(7-isocyano-7,8-dimethyl-4-oxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-7-oxooctoxy]oxan-3-yl]acetamide is sourced from PubChem (CID 161036288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).