[(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate

C7H13O8P-2 — CID 135053951

IUPAC[(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate
SMILESCC1CC(O)C(O)[C@@](O)(COP(=O)([O-])[O-])O1
InChIInChI=1S/C7H15O8P/c1-4-2-5(8)6(9)7(10,15-4)3-14-16(11,12)13/h4-6,8-10H,2-3H2,1H3,(H2,11,12,13)/p-2/t4?,5?,6?,7-/m1/s1
InChIKeyQFQQLVNOEMDHJN-MXFXWPKCSA-L
MW256.15 g/mol
LogP-2.95
Rot. Bonds3

About [(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate

[(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate (PubChem CID 135053951) has the molecular formula C7H13O8P-2 and a molecular weight of 256.15 g/mol. Its IUPAC name is [(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate.

Molecular Properties

Compound Name[(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate
PubChem CID135053951
Molecular FormulaC7H13O8P-2
Molecular Weight256.15 g/mol
Exact Mass256.04
IUPAC Name[(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate
SMILESCC1CC(O)C(O)[C@@](O)(COP(=O)([O-])[O-])O1
InChIInChI=1S/C7H15O8P/c1-4-2-5(8)6(9)7(10,15-4)3-14-16(11,12)13/h4-6,8-10H,2-3H2,1H3,(H2,11,12,13)/p-2/t4?,5?,6?,7-/m1/s1
InChIKeyQFQQLVNOEMDHJN-MXFXWPKCSA-L
XLogP-2.95
TPSA142.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 5-2.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate?
The IUPAC name of [(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate (CID 135053951) is [(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate.
What is the SMILES notation for [(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate?
The canonical SMILES for [(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate is CC1CC(O)C(O)[C@@](O)(COP(=O)([O-])[O-])O1.
What is the InChIKey of [(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate?
The InChIKey is QFQQLVNOEMDHJN-MXFXWPKCSA-L. The full InChI is InChI=1S/C7H15O8P/c1-4-2-5(8)6(9)7(10,15-4)3-14-16(11,12)13/h4-6,8-10H,2-3H2,1H3,(H2,11,12,13)/p-2/t4?,5?,6?,7-/m1/s1.
What are the key properties of [(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate?
[(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate has a molecular weight of 256.15 g/mol, XLogP of -2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3,4-trihydroxy-6-methyloxan-2-yl]methyl phosphate is sourced from PubChem (CID 135053951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).