2-ANTHRYL-NHCOO-5KPEGOME | SBID = 2377 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 1081.32 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | -12.68 | ||
| 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: | C242H465NO115 | ||
| M / g/mol: | 5229.21919999997 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: 2-ANTHRYL-NHCOO-5KPEGOME
- Preferred Abbreviation: 2Ant-5kPEGOMe
- IUPAC Name:
- CAS:
- CID: -991
- InChiKey: ABRVOYPFDGAYBY-UHFFFAOYSA-N
- InChi: InChI=1S/C242H465NO115/c1-245-8-9-246-10-11-247-12-13-248-14-15-249-16-17-250-18-19-251-20-21-252-22-23-253-24-25-254-26-27-255-28-29-256-30-31-257-32-33-258-34-35-259-36-37-260-38-39-261-40-41-262-42-43-263-44-45-264-46-47-265-48-49-266-50-51-267-52-53-268-54-55-269-56-57-270-58-59-271-60-61-272-62-63-273-64-65-274-66-67-275-68-69-276-70-71-277-72-73-278-74-75-279-76-77-280-78-79-281-80-81-282-82-83-283-84-85-284-86-87-285-88-89-286-90-91-287-92-93-288-94-95-289-96-97-290-98-99-291-100-101-292-102-103-293-104-105-294-106-107-295-108-109-296-110-111-297-112-113-298-114-115-299-116-117-300-118-119-301-120-121-302-122-123-303-124-125-304-126-127-305-128-129-306-130-131-307-132-133-308-134-135-309-136-137-310-138-139-311-140-141-312-142-143-313-144-145-314-146-147-315-148-149-316-150-151-317-152-153-318-154-155-319-156-157-320-158-159-321-160-161-322-162-163-323-164-165-324-166-167-325-168-169-326-170-171-327-172-173-328-174-175-329-176-177-330-178-179-331-180-181-332-182-183-333-184-185-334-186-187-335-188-189-336-190-191-337-192-193-338-194-195-339-196-197-340-198-199-341-200-201-342-202-203-343-204-205-344-206-207-345-208-209-346-210-211-347-212-213-348-214-215-349-216-217-350-218-219-351-220-221-352-222-223-353-224-225-354-226-227-355-228-229-356-230-231-357-232-233-358-242(244)243-241-7-6-239-234-237-4-2-3-5-238(237)235-240(239)236-241/h2-7,234-236H,8-233H2,1H3,(H,243,244)
- CanoSmiles: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1ccc2c(c1)cc1c(c2)cccc1
- IsoSmiles: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(NC1=CC=C2C(C=C(C=CC=C3)C3=C2)=C1)=O
