(2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol

C8H18N2O5 — CID 10799040

IUPAC(2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol
SMILESNCC(CN)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H18N2O5/c9-1-4(2-10)15-8-7(13)6(12)5(11)3-14-8/h4-8,11-13H,1-3,9-10H2/t5-,6+,7-,8+/m1/s1
InChIKeyJXWJCDUTYJTLHI-CWKFCGSDSA-N
MW222.24 g/mol
LogP-3.27
Rot. Bonds4

About (2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol

(2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol (PubChem CID 10799040) has the molecular formula C8H18N2O5 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol
PubChem CID10799040
Molecular FormulaC8H18N2O5
Molecular Weight222.24 g/mol
Exact Mass222.12
IUPAC Name(2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol
SMILESNCC(CN)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H18N2O5/c9-1-4(2-10)15-8-7(13)6(12)5(11)3-14-8/h4-8,11-13H,1-3,9-10H2/t5-,6+,7-,8+/m1/s1
InChIKeyJXWJCDUTYJTLHI-CWKFCGSDSA-N
XLogP-3.27
TPSA131.19 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-3.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol
CID 70508112
(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol
CID 163413881
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
2-(2-aminoethoxy)oxolane-3,4-diol
CID 142369560
3-[3-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoyloxy]pentanoic acid
CID 171608192
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206
2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol
CID 20512830
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919
(2R,3R,4S,5S)-2-(2-chloroethoxy)oxane-3,4,5-triol
CID 131000327
(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol
CID 54319451

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol (CID 10799040) is (2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol is NCC(CN)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol?
The InChIKey is JXWJCDUTYJTLHI-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H18N2O5/c9-1-4(2-10)15-8-7(13)6(12)5(11)3-14-8/h4-8,11-13H,1-3,9-10H2/t5-,6+,7-,8+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol?
(2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol has a molecular weight of 222.24 g/mol, XLogP of -3.27, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol is sourced from PubChem (CID 10799040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).