Cucurbit(8)uril

• CAS: 259886-51-6
• Catalog Number: ACM259886516
• Category: Other Products
• Molecular Weight: 1329.1g/mol
• Molecular Formula: C48H48N32O16
• Synonyms: Cucurbit[8]uril;Curcubit[8]uril;Cucurbit[8]uril (CB[8]) hydrate, 99+%;Cucurbit[8]uril hydrate contains acid of crystalization;Cucurbit[8]uril hydrate;2,20:3,19-Dimethano-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,14a,15a,16a,17a,19,20,21a,22a,23a,24a,25a,26a,27a,28a,29a,30a,31a,32a,33a,34a-dotriacontaazabispentaleno[1,6:5,6,7]cycloocta[1,2,3:3,4]pentaleno[1,6:5
• IUPAC Name: 3,5,8,10,13,15,18,20,23,25,28,30,33,35,38,40,41,43,45,47,51,53,55,57,59,61,63,65,67,69,71,73-dotriacontazapentacosacyclo[35.3.3.36,7.311,12.316,17.321,22.326,27.331,32.22,41.236,43.13,40.15,8.110,13.115,18.120,23.125,28.130,33.135,38.145,51.147,73.153,55.157,59.161,63.165,67.169,71]octacontane-44,46,48,49,50,52,54,56,58,60,62,64,66,68,70,72-hexadecone
• Canonical SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C%16N(C5=O)CN5C%17C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C(=O)N%16CN%17C1=O
• InChI: InChI=1S/C48H48N32O16/c81-33-49-1-50-18-20-54(34(50)82)4-58-22-24-62(38(58)86)8-66-26-28-70(42(66)90)12-74-30-32-78(46(74)94)15-77-31-29-73(45(77)93)11-69-27-25-65(41(69)89)7-61-23-21-57(37(61)85)3-53(33)19-17(49)51-2-52(18)36(84)56(20)6-60(22)40(88)64(24)10-68(26)44(92)72(28)14-76(30)48(96)80(32)16-79(31)47(95)75(29)13-71(27)43(91)67(25)9-63(23)39(87)59(21)5-55(19)35(51)83/h17-32H,1-16H2
• InChI Key: CONWISUOKHSUDR-UHFFFAOYSA-N
• Density: 2.71
• Complexity: 2960
• Covalently-Bonded Unit Count: 1
• Exact Mass: 1328.392604g/mol
• Formal Charge: 0
• H-Bond Acceptor: 16
• H-Bond Donor: 0
• Heavy Atom Count: 96
• Monoisotopic Mass: 1328.392604g/mol
• Rotatable Bond Count: 0
• XLogP3: -9.1

Custom Q&A

What is the molecular formula of cucurbit[8]uril?

The molecular formula of cucurbit[8]uril is C48H48N32O16.

When was cucurbit[8]uril created according to the reference?

Cucurbit[8]uril was created on July 4, 2007.

What is the molecular weight of cucurbit[8]uril?

The molecular weight of cucurbit[8]uril is 1329.1 g/mol.

What is the InChIKey of cucurbit[8]uril?

The InChIKey of cucurbit[8]uril is CONWISUOKHSUDR-UHFFFAOYSA-N.

How many hydrogen bond acceptors does cucurbit[8]uril have?

Cucurbit[8]uril has 16 hydrogen bond acceptors.

What is the exact mass of cucurbit[8]uril?

The exact mass of cucurbit[8]uril is 1328.39260358 g/mol.

How many rotatable bond counts does cucurbit[8]uril have?

Cucurbit[8]uril has 0 rotatable bond counts.

What is the topological polar surface area of cucurbit[8]uril?

The topological polar surface area of cucurbit[8]uril is 377 Å2.

How many heavy atoms are present in cucurbit[8]uril?

There are 96 heavy atoms present in cucurbit[8]uril.

What is the complexity value of cucurbit[8]uril?

The complexity value of cucurbit[8]uril is 2960.