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4300-28-1 molecular structure
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(2R,3R,4R)-2,3,4-trihydroxy-5-(phosphonatooxy)pentanal

ChemBase ID: 129276
Molecular Formular: C5H9O8P--
Molecular Mass: 228.093921
Monoisotopic Mass: 228.00350388
SMILES and InChIs

SMILES:
[O-]P(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)C=O
Canonical SMILES:
O=C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O
InChI:
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/p-2/t3-,4+,5-/m0/s1
InChIKey:
PPQRONHOSHZGFQ-LMVFSUKVSA-L

Cite this record

CBID:129276 http://www.chembase.cn/molecule-129276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3R,4R)-2,3,4-trihydroxy-5-(phosphonatooxy)pentanal
IUPAC Traditional name
ribose 5-phosphate
Synonyms
Ribose 5-phosphate
CAS Number
4300-28-1
PubChem SID
162223570
PubChem CID
21115541
77982
CHEBI ID
58273
Chemspider ID
19971025
MeSH Name
ribose-5-phosphate
Wikipedia Title
Ribose_5-phosphate

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.4910102  H Acceptors
H Donor LogD (pH = 5.5) -5.467744 
LogD (pH = 7.4) -6.3607407  Log P -3.0615916 
Molar Refractivity 40.0126 cm3 Polarizability 17.13357 Å3
Polar Surface Area 150.18 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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