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

C5H12NO7P — CID 115

IUPAC(5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate
SMILESNC1COC(OP(=O)(O)O)C(O)C1O
InChIInChI=1S/C5H12NO7P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)
InChIKeyMOHUMCNVKJYHHR-UHFFFAOYSA-N
MW229.12 g/mol
LogP-2.50
Rot. Bonds2

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

(5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate (PubChem CID 115) has the molecular formula C5H12NO7P and a molecular weight of 229.12 g/mol. Its IUPAC name is (5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate
PubChem CID115
Molecular FormulaC5H12NO7P
Molecular Weight229.12 g/mol
Exact Mass229.04
IUPAC Name(5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate
SMILESNC1COC(OP(=O)(O)O)C(O)C1O
InChIInChI=1S/C5H12NO7P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)
InChIKeyMOHUMCNVKJYHHR-UHFFFAOYSA-N
XLogP-2.50
TPSA142.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
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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Related Compounds

Glucosamine 6-Phosphate
CID 439217
D-glucosamine 6-phosphate
CID 440997
Glucosamine-1P
CID 9965052
alpha-D-Glucosamine 1-phosphate
CID 188960
alpha-D-Galactosamine 1-phosphate
CID 493587
GlyTouCan:G22398UQ
CID 9838047
alpha-D-glucosamine 6-phosphate
CID 25244770
2-ammonio-2-deoxy-1-O-phosphonato-alpha-D-glucopyranose
CID 25243931
D-galactosamine 6-phosphate(1-)
CID 70698334
D-galactosamine 6-phosphate
CID 5460111
Glucosamine 4-Phosphate
CID 448057
3-amino-3-deoxy-6-O-phosphono-D-glucopyranose(1-)
CID 25246240

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate?
The IUPAC name of (5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate (CID 115) is (5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate.
What is the SMILES notation for (5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate?
The canonical SMILES for (5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate is NC1COC(OP(=O)(O)O)C(O)C1O.
What is the InChIKey of (5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate?
The InChIKey is MOHUMCNVKJYHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO7P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11).
What are the key properties of (5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate?
(5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate has a molecular weight of 229.12 g/mol, XLogP of -2.50, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydroxyoxan-2-yl) dihydrogen phosphate is sourced from PubChem (CID 115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).