(2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol

C28H57NO10 — CID 10370730

IUPAC(2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol
SMILESCCCCCCCCCCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIInChI=1S/C28H57NO10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-17-20(32)23(34)27(21(33)18-30)39-28-26(37)25(36)24(35)22(19-31)38-28/h20-37H,2-19H2,1H3/t20-,21+,22+,23+,24-,25-,26+,27+,28-/m0/s1
InChIKeyULRBRPVVIMJPIV-WBJZYHOBSA-N
MW567.76 g/mol
LogP0.32
Rot. Bonds24

About (2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol

(2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol (PubChem CID 10370730) has the molecular formula C28H57NO10 and a molecular weight of 567.76 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol
PubChem CID10370730
Molecular FormulaC28H57NO10
Molecular Weight567.76 g/mol
Exact Mass567.40
IUPAC Name(2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol
SMILESCCCCCCCCCCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
InChIInChI=1S/C28H57NO10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-17-20(32)23(34)27(21(33)18-30)39-28-26(37)25(36)24(35)22(19-31)38-28/h20-37H,2-19H2,1H3/t20-,21+,22+,23+,24-,25-,26+,27+,28-/m0/s1
InChIKeyULRBRPVVIMJPIV-WBJZYHOBSA-N
XLogP0.32
TPSA192.33 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500567.76
LogP ≤ 50.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol?
The IUPAC name of (2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol (CID 10370730) is (2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol.
What is the SMILES notation for (2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol?
The canonical SMILES for (2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol is CCCCCCCCCCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol?
The InChIKey is ULRBRPVVIMJPIV-WBJZYHOBSA-N. The full InChI is InChI=1S/C28H57NO10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-17-20(32)23(34)27(21(33)18-30)39-28-26(37)25(36)24(35)22(19-31)38-28/h20-37H,2-19H2,1H3/t20-,21+,22+,23+,24-,25-,26+,27+,28-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol?
(2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol has a molecular weight of 567.76 g/mol, XLogP of 0.32, 24 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-(hexadecylamino)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol is sourced from PubChem (CID 10370730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).