AntNMe2+-2kPEG-OMe | SBID = 2363 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 446.06 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | -2.27 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C110H201ClN4O45 | ||
| M / g/mol: | 2335.22573999999 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: dye, polymer
- Name: AntNMe2+-2kPEG-OMe
- Preferred Abbreviation: AntNMe2+-2kPEG
- IUPAC Name:
- CAS:
- CID: -988
- InChiKey: RSYCXZFFWQXTDC-UHFFFAOYSA-M
- InChi: InChI=1S/C110H201N4O45.ClH/c1-114(2,110-9-8-107-100-105-6-4-5-7-106(105)101-108(107)102-110)104-109-103-113(112-111-109)10-11-116-14-15-118-18-19-120-22-23-122-26-27-124-30-31-126-34-35-128-38-39-130-42-43-132-46-47-134-50-51-136-54-55-138-58-59-140-62-63-142-66-67-144-70-71-146-74-75-148-78-79-150-82-83-152-86-87-154-90-91-156-94-95-158-98-99-159-97-96-157-93-92-155-89-88-153-85-84-151-81-80-149-77-76-147-73-72-145-69-68-143-65-64-141-61-60-139-57-56-137-53-52-135-49-48-133-45-44-131-41-40-129-37-36-127-33-32-125-29-28-123-25-24-121-21-20-119-17-16-117-13-12-115-3;/h4-9,100-103H,10-99,104H2,1-3H3;1H/q+1;/p-1
- CanoSmiles: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1nnc(c1)C[N+](c1ccc2c(c1)cc1c(c2)cccc1)(C)C.[Cl-]
- IsoSmiles: C[N+](C)(CC1=CN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)N=N1)C2=CC=C3C=C4C=CC=CC4=CC3=C2.[Cl-]
