CAS 2089251-47-6 1-Octylnonyl 8-((2-hydroxyethyl)(6-oxo-6-(undecyloxy)hexyl)amino)octanoate

What is the molecular formula of SM-102?

The molecular formula of SM-102 is C44H87NO5.

What is the molecular weight of SM-102?

The molecular weight of SM-102 is 710.2g/mol.

What is the exact mass of SM-102?

The exact mass of SM-102 is 709.65842488.

What are some synonyms of SM-102?

Some synonyms of SM-102 are T7OBQ65G2I, heptadecan-9-yl 8-((2-hydroxyethyl)(6-oxo-6-(undecyloxy)hexyl)amino)octanoate, and Octanoic acid, 8-((2-hydroxyethyl)(6-oxo-6-(undecyloxy)hexyl)amino)-, 1-octylnonyl ester.

What is the InChIKey of SM-102?

The InChIKey of SM-102 is BGNVBNJYBVCBJH-UHFFFAOYSA-N.

What is the Canonical SMILES of SM-102?

The Canonical SMILES of SM-102 is CCCCCCCCCCOC(=O)CCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCO.

How many hydrogen bond acceptors does SM-102 have?

SM-102 has 6 hydrogen bond acceptors.

How many rotatable bond counts does SM-102 have?

SM-102 has 43 rotatable bond counts.

What is the CAS number of SM-102?

The CAS number of SM-102 is 2089251-47-6.

Catalog Number	ACM2089251476
CAS	2089251-47-6
Synonyms	SM-102
IUPAC Name	Heptadecan-9-yl 8-((2-hydroxyethyl)(6-oxo-6-(undecyloxy)hexyl)amino)octanoate
Molecular Weight	710.2
Molecular Formula	C44H87NO5
Canonical SMILES	CCCCCCCCCCCOC(=O)CCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCO
InChI	InChI=1S/C44H87NO5/c1-4-7-10-13-16-17-18-24-32-41-49-43(47)35-29-25-31-38-45(39-40-46)37-30-23-19-22-28-36-44(48)50-42(33-26-20-14-11-8-5-2)34-27-21-15-12-9-6-3/h42,46H,4-41H2,1-3H3
InChI Key	BGNVBNJYBVCBJH-UHFFFAOYSA-N
Purity	98%
Complexity	686
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	709.65842488
Heavy Atom Count	50
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Monoisotopic Mass	709.65842488
Physical State	Solid
Rotatable Bond Count	43
Storage Conditions	-20 °C
Topological Polar Surface Area	76.1 Å²