6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C12H25NO12 — CID 140979265

IUPAC6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESNC1OC(O)(CO)C(O)C(O)C1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO6.C6H12O6/c7-5-3(10)2(9)4(11)6(12,1-8)13-5;7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,8-12H,1,7H2;2-11H,1H2/t;2-,3-,4+,5-,6?/m.1/s1
InChIKeyIPIPGLKCKOPGJG-MSPHXDAXSA-N
MW375.33 g/mol
LogP-7.16
Rot. Bonds2

About 6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 140979265) has the molecular formula C12H25NO12 and a molecular weight of 375.33 g/mol. Its IUPAC name is 6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID140979265
Molecular FormulaC12H25NO12
Molecular Weight375.33 g/mol
Exact Mass375.14
IUPAC Name6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESNC1OC(O)(CO)C(O)C(O)C1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO6.C6H12O6/c7-5-3(10)2(9)4(11)6(12,1-8)13-5;7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,8-12H,1,7H2;2-11H,1H2/t;2-,3-,4+,5-,6?/m.1/s1
InChIKeyIPIPGLKCKOPGJG-MSPHXDAXSA-N
XLogP-7.16
TPSA246.78 Ų
H-Bond Donors11
H-Bond Acceptors13
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500375.33
LogP ≤ 5-7.16
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1013

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Related Compounds

(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of 6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 140979265) is 6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for 6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for 6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is NC1OC(O)(CO)C(O)C(O)C1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of 6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is IPIPGLKCKOPGJG-MSPHXDAXSA-N. The full InChI is InChI=1S/C6H13NO6.C6H12O6/c7-5-3(10)2(9)4(11)6(12,1-8)13-5;7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,8-12H,1,7H2;2-11H,1H2/t;2-,3-,4+,5-,6?/m.1/s1.
What are the key properties of 6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 375.33 g/mol, XLogP of -7.16, 2 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 140979265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).