(5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate

C5H12NO7P — CID 150

IUPAC(5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate
SMILESNC1OC(COP(=O)(O)O)C(O)C1O
InChIInChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)
InChIKeySKCBPEVYGOQGJN-UHFFFAOYSA-N
MW229.12 g/mol
LogP-2.50
Rot. Bonds3

About (5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate

(5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate (PubChem CID 150) has the molecular formula C5H12NO7P and a molecular weight of 229.12 g/mol. Its IUPAC name is (5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate
PubChem CID150
Molecular FormulaC5H12NO7P
Molecular Weight229.12 g/mol
Exact Mass229.04
IUPAC Name(5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate
SMILESNC1OC(COP(=O)(O)O)C(O)C1O
InChIInChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)
InChIKeySKCBPEVYGOQGJN-UHFFFAOYSA-N
XLogP-2.50
TPSA142.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 5-2.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate?
The IUPAC name of (5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate (CID 150) is (5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate.
What is the SMILES notation for (5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate?
The canonical SMILES for (5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate is NC1OC(COP(=O)(O)O)C(O)C1O.
What is the InChIKey of (5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate?
The InChIKey is SKCBPEVYGOQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11).
What are the key properties of (5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate?
(5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate has a molecular weight of 229.12 g/mol, XLogP of -2.50, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate is sourced from PubChem (CID 150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).