DBF-NHCOO-5kPEG-OMe | SBID = 2130 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 9 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 1112.92 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | -13.61 | ||
| 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: | C243H469NO118 | ||
| M / g/mol: | 5293.25985999996 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: DBF-NHCOO-5kPEG-OMe
- Preferred Abbreviation: DBF-5kPEGOMe
- IUPAC Name:
- CAS:
- CID: -941
- InChiKey: XMCZTMCXFQVAKO-UHFFFAOYSA-N
- InChi: InChI=1S/C243H469NO118/c1-246-7-8-248-9-10-249-11-12-250-13-14-251-15-16-252-17-18-253-19-20-254-21-22-255-23-24-256-25-26-257-27-28-258-29-30-259-31-32-260-33-34-261-35-36-262-37-38-263-39-40-264-41-42-265-43-44-266-45-46-267-47-48-268-49-50-269-51-52-270-53-54-271-55-56-272-57-58-273-59-60-274-61-62-275-63-64-276-65-66-277-67-68-278-69-70-279-71-72-280-73-74-281-75-76-282-77-78-283-79-80-284-81-82-285-83-84-286-85-86-287-87-88-288-89-90-289-91-92-290-93-94-291-95-96-292-97-98-293-99-100-294-101-102-295-103-104-296-105-106-297-107-108-298-109-110-299-111-112-300-113-114-301-115-116-302-117-118-303-119-120-304-121-122-305-123-124-306-125-126-307-127-128-308-129-130-309-131-132-310-133-134-311-135-136-312-137-138-313-139-140-314-141-142-315-143-144-316-145-146-317-147-148-318-149-150-319-151-152-320-153-154-321-155-156-322-157-158-323-159-160-324-161-162-325-163-164-326-165-166-327-167-168-328-169-170-329-171-172-330-173-174-331-175-176-332-177-178-333-179-180-334-181-182-335-183-184-336-185-186-337-187-188-338-189-190-339-191-192-340-193-194-341-195-196-342-197-198-343-199-200-344-201-202-345-203-204-346-205-206-347-207-208-348-209-210-349-211-212-350-213-214-351-215-216-352-217-218-353-219-220-354-221-222-355-223-224-356-225-226-357-227-228-358-229-230-359-231-232-360-233-234-361-243(245)244-239-236-241-238(235-242(239)247-2)237-5-3-4-6-240(237)362-241/h3-6,235-236H,7-234H2,1-2H3,(H,244,245)
- CanoSmiles: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1cc2oc3c(c2cc1OC)cccc3
- IsoSmiles: O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)NC(C(OC)=C1)=CC2=C1C(C=CC=C3)=C3O2
