(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol

C7H15NO5 — CID 11600837

IUPAC(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2,8H2,1H3/t3-,4-,5+,6-,7+/m1/s1
InChIKeyBJYPUAVFYCRNFH-ZFYZTMLRSA-N
MW193.20 g/mol
LogP-2.60
Rot. Bonds2

About (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol (PubChem CID 11600837) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
PubChem CID11600837
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2,8H2,1H3/t3-,4-,5+,6-,7+/m1/s1
InChIKeyBJYPUAVFYCRNFH-ZFYZTMLRSA-N
XLogP-2.60
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 739
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CID 449462
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CID 20484
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CID 440049
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CID 198273
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CID 444139
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CID 445621
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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol (CID 11600837) is (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol is CO[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol?
The InChIKey is BJYPUAVFYCRNFH-ZFYZTMLRSA-N. The full InChI is InChI=1S/C7H15NO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2,8H2,1H3/t3-,4-,5+,6-,7+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol has a molecular weight of 193.20 g/mol, XLogP of -2.60, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 11600837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).