Cas no 143488-44-2 (1,3,5,2,4-Trioxadiphosphocane-6-methanol,2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- (9CI))

1,3,5,2,4-Trioxadiphosphocane-6-methanol,2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- (9CI) structure
143488-44-2 structure
Product Name:1,3,5,2,4-Trioxadiphosphocane-6-methanol,2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- (9CI)
CAS No:143488-44-2
MF:C5H12O9P2
MW:278.09090423584
CID:175012
PubChem ID:126747
Update Time:2025-04-19

1,3,5,2,4-Trioxadiphosphocane-6-methanol,2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,3,5,2,4-Trioxadiphosphocane-6-methanol,2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- (9CI)
    • (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2λ<sup>5</sup>,4λ<sup>5</sup>-trioxadiphosphocan-7-ol
    • (6S,7R)-6-(hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocane-2,4,7-triol 2,4-dioxide
    • 1,3,5,2,4-Trioxadiphosphocane-6-methanol, 2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans-
    • 3-Methyl-1,2,3,4-tetrahydroxybutane-1,3-cyclic bisphosphate
    • 3-Mthbcp
    • (2R,4S,6S,7R)-6-(hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocane-2,4,7-triol 2,4-dioxide
    • (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol
    • 2-C-Methyl-D-erythritol 2,4-cyclodiphosphate
    • DB03961
    • 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE
    • DTXSID501123383
    • CHEBI:18425
    • SCHEMBL11952572
    • Q27103069
    • PD059544
    • 143488-44-2
    • 2-C-methyl-D-erythritol 2,4-cyclic diphosphate
    • NS00070432
    • Inchi: 1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1
    • InChI Key: SFRQRNJMIIUYDI-UHNVWZDZSA-N
    • SMILES: P1(=O)(O)OP(=O)(O)OC[C@H]([C@](C)(CO)O1)O

Computed Properties

  • Exact Mass: 277.996
  • Monoisotopic Mass: 277.996
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 356
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.8
  • Topological Polar Surface Area: 143?2

Experimental Properties

  • Density: 1.79
  • Boiling Point: 483.1°Cat760mmHg
  • Flash Point: 246°C
  • Refractive Index: 1.53
  • PSA: 162.37000
  • LogP: -0.63750

1,3,5,2,4-Trioxadiphosphocane-6-methanol,2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- (9CI) Related Literature

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