2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate

CAS

94266-25-8

Catalog Number

ACM94266258

Category

Other Products

Molecular Weight

875.089680 [g/mol]

Molecular Formula

C₄₂H₈₂O₁₈

MSDS COA Spec Sheet

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Specification

Synonyms

2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate, 94266-25-8, CTK5H6158, AG-H-89023

IUPAC Name

[3-[3-[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] octadec-9-enoate

Canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O

InChI Key

KZTPDBZBBGWVJQ-UHFFFAOYSA-N

Boiling Point

933.5ºC at 760mmHg

Flash Point

261.1ºC

Density

1.176g/cm³

EC Number

304-431-8

Exact Mass

874.55000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate?

The molecular formula is C42H82O18.

When was 2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate created?

It was created on 2015-11-07.

What is the molecular weight of 2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate?

The molecular weight is 875.1 g/mol.

What is the IUPAC Name of 2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate?

[3-[3-[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] (Z)-octadec-9-enoate.

What is the Canonical SMILES of 2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate?

CCCCCCCCC=CCCCCCCCC(=O)OCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O.

What is the InChIKey of 2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate?

KZTPDBZBBGWVJQ-KTKRTIGZSA-N

How many hydrogen bond donor counts does 2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate have?

It has 9 hydrogen bond donor counts.

What is the XLogP3-AA value of 2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate?

The XLogP3-AA value is 0.9.

How many rotatable bond counts does 2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate have?

It has 47 rotatable bond counts.

What is the topological polar surface area of 2,6,10,14,18,22,26,30,31-Nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate?

The topological polar surface area is 273 Å2.