1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

C9H17NO7 — CID 175816222

IUPAC1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCCC(N)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.C3H9NO/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2-3(4)5/h2,5,7-10H,1H2;3,5H,2,4H2,1H3/t2-,5+;/m0./s1
InChIKeyJJOSYFXJBANIDO-RXSVEWSESA-N
MW251.23 g/mol
LogP-1.73
Rot. Bonds3

About 1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 175816222) has the molecular formula C9H17NO7 and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID175816222
Molecular FormulaC9H17NO7
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCCC(N)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.C3H9NO/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2-3(4)5/h2,5,7-10H,1H2;3,5H,2,4H2,1H3/t2-,5+;/m0./s1
InChIKeyJJOSYFXJBANIDO-RXSVEWSESA-N
XLogP-1.73
TPSA153.47 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.23
LogP ≤ 5-1.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of 1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (CID 175816222) is 1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for 1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for 1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is CCC(N)O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.
What is the InChIKey of 1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is JJOSYFXJBANIDO-RXSVEWSESA-N. The full InChI is InChI=1S/C6H8O6.C3H9NO/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-2-3(4)5/h2,5,7-10H,1H2;3,5H,2,4H2,1H3/t2-,5+;/m0./s1.
What are the key properties of 1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 251.23 g/mol, XLogP of -1.73, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 175816222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).