(3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol

C6H13NO6 — CID 67877059

IUPAC(3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol
SMILESNC(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO6/c7-5(11)4-2(9)1(8)3(10)6(12)13-4/h1-6,8-12H,7H2/t1-,2+,3+,4-,5?,6?/m0/s1
InChIKeyNGMXFJBRMSEJIO-FRVRDERJSA-N
MW195.17 g/mol
LogP-3.94
Rot. Bonds1

About (3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol

(3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol (PubChem CID 67877059) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is (3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol
PubChem CID67877059
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Name(3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol
SMILESNC(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO6/c7-5(11)4-2(9)1(8)3(10)6(12)13-4/h1-6,8-12H,7H2/t1-,2+,3+,4-,5?,6?/m0/s1
InChIKeyNGMXFJBRMSEJIO-FRVRDERJSA-N
XLogP-3.94
TPSA136.40 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500195.17
LogP ≤ 5-3.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[fluoro(hydroxy)methyl]oxane-2,3,4,5-tetrol
CID 67723200
(2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol
CID 71165156
(2R,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 22885266
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119
(2R,3S,4S,5S,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 25323127
(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 21120523
actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 58666535
[hydroxy-[(2S,3S,4S)-3,4,5-trihydroxyoxolan-2-yl]methyl]-trioxidophosphanium
CID 102233403
hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid
CID 101411214
2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid
CID 89219684

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol (CID 67877059) is (3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol is NC(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol?
The InChIKey is NGMXFJBRMSEJIO-FRVRDERJSA-N. The full InChI is InChI=1S/C6H13NO6/c7-5(11)4-2(9)1(8)3(10)6(12)13-4/h1-6,8-12H,7H2/t1-,2+,3+,4-,5?,6?/m0/s1.
What are the key properties of (3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol?
(3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol has a molecular weight of 195.17 g/mol, XLogP of -3.94, 1 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 67877059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).