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Mannose 6-phosphate

Athanor · official

C6H13O9P · 260.14 g/mol

IUPAC name: [(2R,3S,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate

Also called M6P, mannose-6-phosphate, lysosomal targeting signal

CarbohydratesMetabolites
Open in Athanor
The structure of Mannose 6-phosphate
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
Synonyms
M6P, mannose-6-phosphate, lysosomal targeting signal
+ 4 more

GlyTouCan:G97759ZB, RefChem:1045700, G97759ZB, d-mannose-6-phosphat

Molecular formula
C6H13O9P
Empirical formula
C6H13O9P
Molecular weight
260.14 g/mol
Exact mass
260.02972
CAS number
3672-15-9
PubChem CID
11536233
Canonical SMILES
C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
Isomeric SMILES
C([C@@H]1[C@H]([C@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5+,6?/m1/s1
InChIKey
NBSCHQHZLSJFNQ-RSVSWTKNSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
16
Rings
1
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
1
H-bond donors
6
H-bond acceptors
7 computed here · PubChem 9
Rotatable bonds
3
TPSA (Ų)
156.9 computed here · PubChem 157
Formal charge
0
XLogP3
-4.2 PubChem
Complexity
277 PubChem
Stereocenters
4 defined, 1 undefinedCIP: C2: undefined · C4: R · C11: S · C13: R · C15: S
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C27.70%
  • H5.04%
  • O55.35%
  • P11.91%

Isotope pattern

100%260.0307.0%261.0332.1%262.034263.038

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
-3.1 Crippen (Wildman and Crippen 1999)
log S (water solubility)
0.7 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.91 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 260.14
  • log P ≤ 5 (Crippen): -3.1
  • H-bond donors ≤ 5: 6
  • H-bond acceptors ≤ 10: 7

Breaks 1 of the four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Always read the supplier’s safety data sheet before working with it.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  2. ·Literature on PubChem

Data last updated 2026-10-14.