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103192-39-8 molecular structure
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2-amino-2-(hydroxymethyl)propane-1,3-diol; [({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

ChemBase ID: 155542
Molecular Formular: C14H26N6O14P2
Molecular Mass: 564.335562
Monoisotopic Mass: 564.0982228
SMILES and InChIs

SMILES:
c1nc2c(=O)[nH]c(nc2n1[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)O)N.C(C(CO)(CO)N)O
Canonical SMILES:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O.OCC(CO)(CO)N
InChI:
InChI=1S/C10H15N5O11P2.C4H11NO3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21;5-4(1-6,2-7)3-8/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18);6-8H,1-3,5H2/t3-,5-,6-,9-;/m1./s1
InChIKey:
YWMHXINREUQYRO-GWTDSMLYSA-N

Cite this record

CBID:155542 http://www.chembase.cn/molecule-155542.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-2-(hydroxymethyl)propane-1,3-diol; [({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
IUPAC Traditional name
GDP; tris buffer
Synonyms
GDP
Guanosine 5′-diphosphate tris salt from Saccharomyces cerevisiae
CAS Number
103192-39-8
MDL Number
MFCD00058344
PubChem SID
162249680
PubChem CID
71312154

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
G7252 external link Add to cart Please log in.
Data Source Data ID
PubChem 71312154 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.9690444  H Acceptors 12 
H Donor LogD (pH = 5.5) -7.630379 
LogD (pH = 7.4) -8.285877  Log P -3.463729 
Molar Refractivity 86.3669 cm3 Polarizability 33.722054 Å3
Polar Surface Area 248.28 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
~95% expand Show data source
Type
Type VI expand Show data source
Shipped in
dry ice expand Show data source
Empirical Formula (Hill Notation)
C10H15N5O11P2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - G7252 external link
Biochem/physiol Actions
Guanosine 5′-diphosphate (GDP) is the diphosphate nucleoside of the purine guanine. GDP and GTP are involved in and may be used to study cell signaling via G-coupled protein receptors (GCPR) and guanine nucleotide exchange factors (GEF) and a variety of GTPases.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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