CAS
94230-80-5 Purity
96%
94230-80-5 Purity
96%
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2-Hydroxypropane-1,3-diylbis(oxyethylene)bis(dihydrogen phosphate),sodium salt
CAS
94230-84-9
Catalog Number
ACM94230849
Category
Other Products
Molecular Weight
362.140572 [g/mol]
Molecular Formula
C7H17NaO11P2
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Specification
Synonyms
EINECS 303-796-0, 2-Hydroxypropane-1,3-diylbis(oxyethylene) bis(dihydrogen phosphate), sodium salt, 94230-84-9
IUPAC Name
sodium 2-phosphonooxy-1-[3-(2-phosphonooxyethoxy)propoxy]ethanolate
Canonical SMILES
C(COCCOP(=O)(O)O)COC(COP(=O)(O)O)[O-].[Na+]
InChI Key
SIXZBBMWOCXNRI-UHFFFAOYSA-N
EC Number
303-796-0
Exact Mass
362.01400
H-Bond Acceptor
11
H-Bond Donor
4
What is the molecular formula of the compound 2-Hydroxypropane-1,3-diylbis(oxyethylene)bis(dihydrogen phosphate), sodium salt?
The molecular formula is C7H17NaO11P2.
When was the compound first created and when was it last modified?
The compound was first created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is sodium;2-phosphonooxy-1-[3-(2-phosphonooxyethoxy)propoxy]ethanolate.
What is the InChIKey of the compound?
The InChIKey is SIXZBBMWOCXNRI-UHFFFAOYSA-N.
How many hydrogen bond donor counts are present in the compound?
There are 4 hydrogen bond donor counts.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count is 11.
What is the topological polar surface area of the compound?
The topological polar surface area is 175 Ų.
How many heavy atoms are present in the compound?
There are 21 heavy atoms.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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