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» Compound Summary
perborate -
Compound Summary
(CID
5460515
)
Table of Contents
Synonyms
Properties
Descriptors
Compound Information
Substance Information
Category
Exports
Depositor-Supplied Synonyms:
(Total: 7)
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perborate
perborate(2-)
CHEBI:30175
CID5460515
tetrahydroxidodi-mu-peroxido-diborate(2-)
[(OH)2B(mu-OO)2B(OH)2](2-)
[B2(O2)2(OH)4](2-)
Properties Computed from Structure:
Molecular Weight
153.64896 [g/mol]
Molecular Formula
B
2
H
4
O
8
-2
H-Bond Donor
4
H-Bond Acceptor
10
Rotatable Bond Count
0
Exact Mass
154.009228
MonoIsotopic Mass
154.009228
Topological Polar Surface Area
118
Heavy Atom Count
10
Formal Charge
-2
Complexity
99.2
Isotope Atom Count
0
Defined Atom StereoCenter Count
0
Undefined Atom StereoCenter Count
0
Defined Bond StereoCenter Count
0
Undefined Bond StereoCenter Count
0
Covalently-Bonded Unit Count
1
Descriptors Computed from Structure:
IUPAC Name:
1,1,4,4-tetrahydroxy-2,3,5,6-tetraoxa-1,4-diboranuidacyclohexane
Canonical SMILES:
[B-]1(OO[B-](OO1)(O)O)(O)O
InChI:
InChI=1S/B2H4O8/c3-1(4)7-9-2(5,6)10-8-1/h3-6H/q-2
InChIKey:
PNIJRIIGBGFYHF-UHFFFAOYSA-N
Compound Information:
CID
5460515
Create Date: 2004-09-16
Similar Compounds:
2 Links
Substance Information:
Substances:
All:
14 Links
Same structure:
3 Links
Mixture:
11 Links
Category:
[for same structure substances]
Biological Properties:
2 Links
ChEBI
(
1
)
SID
8146256
- External ID:
CHEBI:30175
NextBio
(
1
)
SID
51140292
- External ID:
5460515
Substance Vendors:
1 Link
ChemSpider
(
1
)
SID
39443149
- External ID:
4574024
ASN1
XML
SDF
2D
3D
2D
3D
Reason:
3D generation disallowed.
Compound ID
5460515
Molecular Weight
153.64896 [g/mol]
Molecular Formula
B
2
H
4
O
8
-2
H-Bond Donor
4
H-Bond Acceptor
10
Links
Chemical Structure Search
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