5,10,15,20-Tetrakis[4-(per-O-methyl-alpha-cyclodextrin-6-yloxy)phenyl]-21H,23H-porphine

Catalog Number

ACMA00014235

Product Name

5,10,15,20-Tetrakis[4-(per-O-methyl-alpha-cyclodextrin-6-yloxy)phenyl]-21H,23H-porphine

Category

Macrocycles

IUPAC Name

5-[4-[[(3S,5R,6S,11S,16R,26R,31R,33S,35R,37R,39S,41R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]oxy]phenyl]-10-[4-[[(3S,5S,6R,11S,16R,26R,31R,33S,35R,37R,39R,41S,42S)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]oxy]phenyl]-20-[4-[[(3S,5S,6R,11S,16R,26R,31R,33R,35R,37R,39S,41S,42S)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]oxy]phenyl]-15-[4-[[(3S,5S,11S,16R,26R,31R,33S,35R,37R,39R,41R)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]oxy]phenyl]-21,23-dihydroporphyrin

Molecular Weight

5396g/mol

Molecular Formula

C252H390N4O120

Canonical SMILES

COCC1C2C(C(C(O1)OC3C(OC(C(C3OC)OC)OC4C(C(C(OC5C(OC(C(C5OC)OC)OC6C(OC(C(C6OC)OC)OC7C(OC(O2)C(C7OC)OC)COC)COC)COC)OC4OC8=CC=C(C=C8)C9=C1C=CC(=C(C2=NC(=C(C3=CC=C(N3)C(=C3C=CC9=N3)C3=CC=C(C=C3)OC3C4C(C(C(O3)OC3C(OC(C(C3OC)OC)OC3C(OC(C(C3OC)OC)OC3C(OC(C(C3OC)OC)OC3C(OC(C(C3OC)OC)OC3C(OC(O4)C(C3OC)OC)COC)COC)COC)COC)COC)OC)OC)C3=CC=C(C=C3)OC3C4C(C(C(O3)OC3C(OC(C(C3OC)OC)OC3C(OC(C(C3OC)OC)OC3C(OC(C(C3OC)OC)OC3C(OC(C(C3OC)OC)OC3C(OC(O4)C(C3OC)OC)COC)COC)COC)COC)COC)OC)OC)C=C2)C2=CC=C(C=C2)OC2C3C(C(C(O2)OC2C(OC(C(C2OC)OC)OC2C(OC(C(C2OC)OC)OC2C(OC(C(C2OC)OC)OC2C(OC(C(C2OC)OC)OC2C(OC(O3)C(C2OC)OC)COC)COC)COC)COC)COC)OC)OC)N1)OC)OC)COC)OC)OC

InChI

InChI=1S/C252H390N4O120/c1-257-93-129-153-173(277-21)197(301-45)225(329-129)353-157-133(97-261-5)337-233(205(309-53)177(157)281-25)361-165-141(105-269-13)345-241(213(317-61)185(165)289-33)369-221-193(297-41)217(321-65)245(365-169-145(109-273-17)341-237(209(313-57)189(169)293-37)357-161-137(101-265-9)333-229(349-153)201(305-49)181(161)285-29)373-249(221)325-117-77-69-113(70-78-117)149-121-85-87-123(253-121)150(114-71-79-118(80-72-114)326-250-222-194(298-42)218(322-66)246(374-250)366-170-146(110-274-18)342-238(210(314-58)190(170)294-38)358-162-138(102-266-10)334-230(202(306-50)182(162)286-30)350-154-130(94-258-2)330-226(198(302-46)174(154)278-22)354-158-134(98-262-6)338-234(206(310-54)178(158)282-26)362-166-142(106-270-14)346-242(370-222)214(318-62)186(166)290-34)125-89-91-127(255-125)152(116-75-83-120(84-76-116)328-252-224-196(300-44)220(324-68)248(376-252)368-172-148(112-276-20)344-240(212(316-60)192(172)296-40)360-164-140(104-268-12)336-232(204(308-52)184(164)288-32)352-156-132(96-260-4)332-228(200(304-48)176(156)280-24)356-160-136(100-264-8)340-236(208(312-56)180(160)284-28)364-168-144(108-272-16)348-244(372-224)216(320-64)188(168)292-36)128-92-90-126(256-128)151(124-88-86-122(149)254-124)115-73-81-119(82-74-115)327-251-223-195(299-43)219(323-67)247(375-251)367-171-147(111-275-19)343-239(211(315-59)191(171)295-39)359-163-139(103-267-11)335-231(203(307-51)183(163)287-31)351-155-131(95-259-3)331-227(199(303-47)175(155)279-23)355-159-135(99-263-7)339-235(207(311-55)179(159)283-27)363-167-143(107-271-15)347-243(371-223)215(319-63)187(167)291-35/h69-92,129-148,153-253,256H,93-112H2,1-68H3/t129?,130?,131?,132?,133?,134?,135?,136?,137?,138?,139?,140?,141?,142?,143?,144?,145?,146?,147?,148?,153?,154?,155?,156?,157-,158-,159-,160-,161-,162-,163-,164-,165+,166+,167+,168+,169?,170?,171?,172?,173-,174-,175-,176-,177-,178-,179-,180-,181-,182+,183+,184+,185+,186+,187-,188-,189-,190-,191-,192-,193+,194-,195-,196+,197?,198?,199?,200?,201?,202?,203?,204?,205?,206?,207?,208?,209?,210?,211?,212?,213?,214?,215?,216?,217+,218?,219?,220+,221-,222+,223?,224-,225?,226?,227?,228?,229?,230?,231?,232?,233?,234?,235?,236?,237?,238?,239?,240?,241?,242?,243?,244?,245+,246+,247+,248+,249+,250-,251+,252+/m1/s1

InChI Key

AZVHKGGXHOYMIE-YWFMWZCFSA-N

Complexity

9980

Covalently-Bonded Unit Count

1

Exact Mass

5394.460523g/mol

Formal Charge

0

Heavy Atom Count

376

Monoisotopic Mass

5392.453813g/mol

Rotatable Bond Count

100

XLogP3

-2.5

MSDS

COA

Spec Sheet