(4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol

C6H13NO5 — CID 174104618

IUPAC(4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC1OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C6H13NO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2?,3-,4+,5?,6?/m1/s1
InChIKeyWCWOEQFAYSXBRK-DLABPRKASA-N
MW179.17 g/mol
LogP-3.26
Rot. Bonds1

About (4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol

(4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 174104618) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is (4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID174104618
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC1OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C6H13NO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2?,3-,4+,5?,6?/m1/s1
InChIKeyWCWOEQFAYSXBRK-DLABPRKASA-N
XLogP-3.26
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 ≤ 5-3.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5R,6R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11095207
(2S,5R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59101286
(2S,3R,5R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 155653214
(2R,3S,4R,5R,6S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94005021
(3R,4S,5R,6R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11665493
2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol
CID 176999192
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2R,3R,4R,5S)-5-amino-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 121226684

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol (CID 174104618) is (4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol is NC1OC(CO)[C@@H](O)[C@H](O)C1O.
What is the InChIKey of (4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is WCWOEQFAYSXBRK-DLABPRKASA-N. The full InChI is InChI=1S/C6H13NO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2?,3-,4+,5?,6?/m1/s1.
What are the key properties of (4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol?
(4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 179.17 g/mol, XLogP of -3.26, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 174104618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).