(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol

C8H15NO6 — CID 163201287

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](N[C@@]2(O)CO2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO6/c10-1-5-7(12)6(11)4(2-14-5)9-8(13)3-15-8/h4-7,9-13H,1-3H2/t4-,5+,6+,7+,8+/m0/s1
InChIKeyYLTTTWSEJMVRQV-SLBCVNJHSA-N
MW221.21 g/mol
LogP-3.27
Rot. Bonds3

About (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol (PubChem CID 163201287) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol
PubChem CID163201287
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](N[C@@]2(O)CO2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO6/c10-1-5-7(12)6(11)4(2-14-5)9-8(13)3-15-8/h4-7,9-13H,1-3H2/t4-,5+,6+,7+,8+/m0/s1
InChIKeyYLTTTWSEJMVRQV-SLBCVNJHSA-N
XLogP-3.27
TPSA114.71 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-3.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol with MolForge

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Related Compounds

N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
5-hydrazinyl-2-(hydroxymethyl)oxane-3,4-diol
CID 123477904
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259
N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 122466966
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 146573761
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(2R,3R,4R)-5-amino-2-(hydroxymethyl)oxane-3,4-diol
CID 156818460
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 142842456
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405
N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 54288562

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol (CID 163201287) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol is OC[C@H]1OC[C@H](N[C@@]2(O)CO2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol?
The InChIKey is YLTTTWSEJMVRQV-SLBCVNJHSA-N. The full InChI is InChI=1S/C8H15NO6/c10-1-5-7(12)6(11)4(2-14-5)9-8(13)3-15-8/h4-7,9-13H,1-3H2/t4-,5+,6+,7+,8+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol has a molecular weight of 221.21 g/mol, XLogP of -3.27, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(2R)-2-hydroxyoxiran-2-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 163201287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).