Diphosphoglyceric acid

HCID 61CAS 138-81-8
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Basic information

Standard SMILES
O=C(O)C(COP(=O)(O)O)OP(=O)(O)O
InChIKey
XOHUEYCVLUUEJJ-UHFFFAOYSA-N
Molecular formula
C3H8O10P2
Average molar mass
266.04 g/mol
Monoisotopic mass
265.95926972

Overview

2,3-bisphosphoglyceric acid is a bisphosphoglyceric acid that is glyceric acid carrying two phospho substituents at positions 2 and 3. It has a role as a human metabolite. It is a bisphosphoglyceric acid and a tetronic acid derivative. It is functionally related to a glyceric acid. It is a conjugate acid of a 2,3-bisphosphoglycerate.

Names & identifiers

Preferred name
Diphosphoglyceric acid
IUPAC
2,3-diphosphonooxypropanoic acid
English name
2,3-diphosphonooxypropanoic acid
Molecular formula
C3H8O10P2
Molecular weight
266.04

Names & synonyms

2,3-diphosphoglycerate138-81-8Diphosphoglyceric acidPropanoic acid, 2,3-bis(phosphonooxy)-TZ4454O4YZ2,3 Bisphosphoglycerate2,3-DpgDTXSID108618012,3 DiphosphoglycerateRefChem:920421GlyTouCan:G67393MBGlycerate 2,3-Bisphosphate
Show more names
2,3-Diphosphoglyceric acid2,3-BisphosphoglycerateDiphoshate glyceric acid2,3-bisphosphoglycericaci（2,3-diphosphoglycerate），DPGD-glyceric acid bisphosphate
2,3-Bisphosphate, GlycerateDTXCID10810677G67393MB2,3-diphosphonooxypropanoic acid2,3-Bisphosphoglyceric acid2,3-bis(phosphonooxy)propanoic acid2,3-Diphospho-D-glyceric acidGlycerate 2,3-diphosphate

Database identifiers

CAS
138-81-8、62868-79-5
PubChem CID
61
DTXSID
DTXSID10861801
ChEMBL
CHEMBL144103
ChEBI
CHEBI:28907
UNII
TZ4454O4YZ
Nikkaji
J1.206.330J

Properties

Computed structural properties

XLogP
-3.7
Topological polar surface area
171 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
10
Rotatable bonds
6
Heavy atoms
15

Experimental & physicochemical properties

Collision Cross Section152.3 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Physicochemical properties

Boiling point
669.8 · 669.8±65.0 °C(Predicted)
Density
2.143 · 2.143±0.06 g/cm3(Predicted)
solubility
Water (Slightly)
pka
1.61 · 1.61±0.10(Predicted)
form
Solid
color
White to Pale Beige

Chemistry & industry

Applications

Uses2,3-DPG-13C3, is a labeled isotope of 2,3-Diphospho-D-glyceric Acid, a metabolite formed in the metabolomes of normal and sickle cell erythrocytes.

Suppliers6 total

陕西科贝莱药物研发有限公司13119135307 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 2,3-bisphosphoglyceric acid is a bisphosphoglyceric acid that is glyceric acid carrying two phospho substituents at positions 2 and 3. It has a role as a human metabolite. It is a tetronic acid derivative and a bisphosphoglyceric acid. It is functionally related to a glyceric acid. It is a conjugate acid of a 2,3-bisphosphoglycerate.

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