1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)

Catalog Number	ACM1220890254
CAS	1220890-25-4
Synonyms	1-[2-[Bis(2-hydroxydodecyl)amino]ethyl-[2-[4-[2-[bis(2-hydroxydodecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]dodecan-2-ol
Molecular Weight	1136.9
Molecular Formula	C70H145N5O5
Canonical SMILES	CCCCCCCCCCC(CN(CCN1CCN(CC1)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)O
InChI	InChI=1S/C70H145N5O5/c1-6-11-16-21-26-31-36-41-46-66(76)61-73(58-60-75(64-69(79)49-44-39-34-29-24-19-14-9-4)65-70(80)50-45-40-35-30-25-20-15-10-5)57-55-71-51-53-72(54-52-71)56-59-74(62-67(77)47-42-37-32-27-22-17-12-7-2)63-68(78)48-43-38-33-28-23-18-13-8-3/h66-70,76-80H,6-65H2,1-5H3
InChI Key	RVHYPUORVDKRTM-UHFFFAOYSA-N
Purity	95%+
Complexity	1160
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	1136.12457274
Heavy Atom Count	80
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	5
Monoisotopic Mass	1136.12457274
Rotatable Bond Count	64
Storage Conditions	-20 °C
Topological Polar Surface Area	117 Ų

Knowledge & Learning Case Study Q&A

What is the molecular formula of 1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)?

The molecular formula is C70H145N5O5.

What is the exact mass of 1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)?

The exact mass is 1136.12457274 g/mol.

How many heavy atoms are present in 1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)?

There are 80 heavy atoms present.

What is the Canonical SMILES representation of 1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)?

The Canonical SMILES representation is CCCCCCCCCC(CN(CCN1CCN(CC1)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)O

How many rotatable bonds are present in 1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)?

There are 64 rotatable bonds present.

What are some of the Depositor-Supplied Synonyms for 1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)?

Some Depositor-Supplied Synonyms include MFCD32062847, SCHEMBL30868, and AKOS040756551.

What is the IUPAC Name of 1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)?

The IUPAC Name is 1-[2-[bis(2-hydroxydodecyl)amino]ethyl-[2-[4-[2-[bis(2-hydroxydodecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]dodecan-2-ol.

How many hydrogen bond acceptor counts are there in 1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)?

There are 10 hydrogen bond acceptor counts.

What is the InChIKey of 1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)?

The InChIKey is RVHYPUORVDKRTM-UHFFFAOYSA-N.

What is the Computed Properties XLogP3 value of 1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol)?

The Computed Properties XLogP3 value is 22.3.

Our products and services are for research use only and cannot be used for any clinical purposes.

Online Inquiry

1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis(dodecan-2-ol) (1220890-25-4)

Send A Message