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

C6H13NO5 — CID 58456000

IUPAC(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESNC1C(O)OC(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2?,3?,4-,5+,6?/m0/s1
InChIKeyMSWZFWKMSRAUBD-LPMQCSPOSA-N
MW179.17 g/mol
LogP-3.26
Rot. Bonds1

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

(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 58456000) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is (4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID58456000
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESNC1C(O)OC(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2?,3?,4-,5+,6?/m0/s1
InChIKeyMSWZFWKMSRAUBD-LPMQCSPOSA-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,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride
CID 159661735
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrofluoride
CID 139962183
actinium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58582833
(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
CID 55288704
(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;aminophosphonous acid
CID 158492783
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid
CID 66583672
disodium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfuric acid;dichloride
CID 174851399

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol (CID 58456000) is (4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol is NC1C(O)OC(CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is MSWZFWKMSRAUBD-LPMQCSPOSA-N. The full InChI is InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2?,3?,4-,5+,6?/m0/s1.
What are the key properties of (4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol?
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-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 (4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 58456000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).