1-Pyrenyl-NHCOO-5KPEGOME | SBID = 2378 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 1081.32 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | -12.07 | ||
| 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: | C244H465NO115 | ||
| M / g/mol: | 5253.24059999997 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: 1-Pyrenyl-NHCOO-5KPEGOME
- Preferred Abbreviation: 1Pyr-5kPEGOMe
- IUPAC Name:
- CAS:
- CID: -992
- InChiKey: BMZTXBNXWGHOPW-UHFFFAOYSA-N
- InChi: InChI=1S/C244H465NO115/c1-247-11-12-248-13-14-249-15-16-250-17-18-251-19-20-252-21-22-253-23-24-254-25-26-255-27-28-256-29-30-257-31-32-258-33-34-259-35-36-260-37-38-261-39-40-262-41-42-263-43-44-264-45-46-265-47-48-266-49-50-267-51-52-268-53-54-269-55-56-270-57-58-271-59-60-272-61-62-273-63-64-274-65-66-275-67-68-276-69-70-277-71-72-278-73-74-279-75-76-280-77-78-281-79-80-282-81-82-283-83-84-284-85-86-285-87-88-286-89-90-287-91-92-288-93-94-289-95-96-290-97-98-291-99-100-292-101-102-293-103-104-294-105-106-295-107-108-296-109-110-297-111-112-298-113-114-299-115-116-300-117-118-301-119-120-302-121-122-303-123-124-304-125-126-305-127-128-306-129-130-307-131-132-308-133-134-309-135-136-310-137-138-311-139-140-312-141-142-313-143-144-314-145-146-315-147-148-316-149-150-317-151-152-318-153-154-319-155-156-320-157-158-321-159-160-322-161-162-323-163-164-324-165-166-325-167-168-326-169-170-327-171-172-328-173-174-329-175-176-330-177-178-331-179-180-332-181-182-333-183-184-334-185-186-335-187-188-336-189-190-337-191-192-338-193-194-339-195-196-340-197-198-341-199-200-342-201-202-343-203-204-344-205-206-345-207-208-346-209-210-347-211-212-348-213-214-349-215-216-350-217-218-351-219-220-352-221-222-353-223-224-354-225-226-355-227-228-356-229-230-357-231-232-358-233-234-359-235-236-360-244(246)245-241-10-8-239-6-5-237-3-2-4-238-7-9-240(241)243(239)242(237)238/h2-10H,11-236H2,1H3,(H,245,246)
- CanoSmiles: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1
- IsoSmiles: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(NC1=CC=C2C3=C1C=CC4=CC=CC(C=C2)=C43)=O
