CAS
94266-21-4 Purity
96%
94266-21-4 Purity
96%
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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
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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
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
18
H-Bond Donor
9
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.
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