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alpha-D-Glucose 1,6-bisphosphate
SpectraBase Compound ID IKRmjZQGEr
InChI InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1
InChIKey RWHOZGRAXYWRNX-VFUOTHLCSA-N
Mol Weight 340.11 g/mol
Molecular Formula C6H14O12P2
Exact Mass 339.99605 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EcXjSQad55
Name alpha-D-Glucose 1,6-bisphosphate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 10139-18-1 28472-37-9 29315-85-3
ChEBI ID 17680
Comments 100 mM alpha_D_Glucose_1,6_bisphosphate - vendor: ?; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C6 H14 O12 P2
IUPAC Name [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-oxan-2-yl]methoxyphosphonic acid; [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-tetrahydropyran-2-yl]methoxyphosphonic acid
InChI InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1
InChIKey RWHOZGRAXYWRNX-VFUOTHLCSA-N
KEGG Compound ID C00660
PubChem Compound ID 82400
SMILES C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O
Source File Reference bmse000087