2,4-O-methylidenepe...

2,4-O-methylidenepentitol 5348-86-7

2,4-O-methylidenepentitol 5348-86-7

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

4,6-bis(hydroxymethyl)-1,3-dioxan-5-ol 2,4-O-methylidenepentitol 5348-86-7

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
2,4-O-methylidenepentitol
【Iupac name】
4,6-bis(hydroxymethyl)-1,3-dioxan-5-ol
【CAS Registry number】
5348-86-7
【Synonyms】
2,4-o-methylidenepentitol
5348-86-7
NSC1349
AC1L57B3
AC1Q79R0
NSC-1349
MESO-2,4-O-METHYLENERIBITOL
AR-1D3873
4,6-bis(hydroxymethyl)-1,3-dioxan-5-ol
【Molecular Formula】
C6H12O5 (Products with the same molecular formula)
【Molecular Weight】
164.1565
【Inchi】
InChI=1/C6H12O5/c7-1-4-6(9)5(2-8)11-3-10-4/h4-9H,1-3H2
【Canonical SMILES】
C1OC(C(C(O1)CO)O)CO
【MOL File】
5348-86-7.mol
Chemical and Physical Properties
【Density】
1.338g/cm3
【Boiling Point】
379.4°C at 760 mmHg
【Refractive Index】
1.493
【Flash Point】
183.3°C
【Computed Properties】
Molecular Weight:164.15648 [g/mol]
Molecular Formula:C6H12O5
XLogP3-AA:-1.5
H-Bond Donor:3
H-Bond Acceptor:5
Rotatable Bond Count:2
Exact Mass:164.068473
MonoIsotopic Mass:164.068473
Topological Polar Surface Area:79.2
Heavy Atom Count:11
Formal Charge:0
Complexity:106
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:3
Feature 3D Ring Count:1
Effective Rotor Count:3.2
Conformer Sampling RMSD:0.6
CID Conformer Count:29

 

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