(3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol

C6H13NO5 — CID 45357378

IUPAC(3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol
SMILESNCC1(O)OC[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4?,5-,6?/m0/s1
InChIKeyIXZISFNWUWKBOM-RHAWHZQYSA-N
MW179.17 g/mol
LogP-3.25
Rot. Bonds1

About (3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol

(3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol (PubChem CID 45357378) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is (3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol
PubChem CID45357378
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol
SMILESNCC1(O)OC[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4?,5-,6?/m0/s1
InChIKeyIXZISFNWUWKBOM-RHAWHZQYSA-N
XLogP-3.25
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-3.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol (CID 45357378) is (3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol is NCC1(O)OC[C@H](O)C(O)[C@@H]1O.
What is the InChIKey of (3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol?
The InChIKey is IXZISFNWUWKBOM-RHAWHZQYSA-N. The full InChI is InChI=1S/C6H13NO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4?,5-,6?/m0/s1.
What are the key properties of (3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol?
(3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol has a molecular weight of 179.17 g/mol, XLogP of -3.25, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 45357378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).