(2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol

C9H19NO4 — CID 58281194

IUPAC(2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
SMILESCC(C)[C@@H]1OC(CO)[C@H](N)[C@H](O)C1O
InChIInChI=1S/C9H19NO4/c1-4(2)9-8(13)7(12)6(10)5(3-11)14-9/h4-9,11-13H,3,10H2,1-2H3/t5?,6-,7-,8?,9-/m0/s1
InChIKeyGAXUQXMWJDNVAU-IDIMRBMGSA-N
MW205.25 g/mol
LogP-1.55
Rot. Bonds2

About (2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol

(2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol (PubChem CID 58281194) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name(2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
PubChem CID58281194
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
SMILESCC(C)[C@@H]1OC(CO)[C@H](N)[C@H](O)C1O
InChIInChI=1S/C9H19NO4/c1-4(2)9-8(13)7(12)6(10)5(3-11)14-9/h4-9,11-13H,3,10H2,1-2H3/t5?,6-,7-,8?,9-/m0/s1
InChIKeyGAXUQXMWJDNVAU-IDIMRBMGSA-N
XLogP-1.55
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol?
The IUPAC name of (2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol (CID 58281194) is (2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol.
What is the SMILES notation for (2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol?
The canonical SMILES for (2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol is CC(C)[C@@H]1OC(CO)[C@H](N)[C@H](O)C1O.
What is the InChIKey of (2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol?
The InChIKey is GAXUQXMWJDNVAU-IDIMRBMGSA-N. The full InChI is InChI=1S/C9H19NO4/c1-4(2)9-8(13)7(12)6(10)5(3-11)14-9/h4-9,11-13H,3,10H2,1-2H3/t5?,6-,7-,8?,9-/m0/s1.
What are the key properties of (2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol?
(2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol has a molecular weight of 205.25 g/mol, XLogP of -1.55, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-5-amino-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 58281194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).